4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C148H111ClF6N46O6 — CID 164958747

IUPAC4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(C#CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cc(F)n1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cc(F)cc(Cl)n5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cc(F)ccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cccc(C#N)n5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cncc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H22F3N9O.C30H24FN9O2.C30H22N10O.C29H21ClFN9O.C29H22FN9O/c1-39-18-24(16-37-39)22-11-26(29-23(12-34)15-38-42(29)19-22)21-3-4-27(36-14-21)40-6-8-41(9-7-40)28(43)5-2-20-10-25(17-35-13-20)30(31,32)33;1-37-18-24(17-34-37)22-13-25(30-23(14-32)16-35-40(30)19-22)21-4-5-27(33-15-21)38-7-9-39(10-8-38)29(41)6-3-20-11-26(31)36-28(12-20)42-2;1-37-19-24(18-34-37)22-13-27(30-23(14-31)17-35-40(30)20-22)21-5-7-28(33-16-21)38-9-11-39(12-10-38)29(41)8-6-25-3-2-4-26(15-32)36-25;1-37-17-22(16-34-37)20-10-25(29-21(13-32)15-35-40(29)18-20)19-2-4-27(33-14-19)38-6-8-39(9-7-38)28(41)5-3-24-11-23(31)12-26(30)36-24;1-36-18-23(17-34-36)21-12-26(29-22(14-31)16-35-39(29)19-21)20-2-4-27(33-15-20)37-8-10-38(11-9-37)28(40)5-3-25-13-24(30)6-7-32-25/h3-4,10-11,13-19H,6-9H2,1H3;4-5,11-13,15-19H,7-10H2,1-2H3;2-5,7,13,16-20H,9-12H2,1H3;2,4,10-12,14-18H,6-9H2,1H3;2,4,6-7,12-13,15-19H,8-11H2,1H3
InChIKeyBNOGONXLRBEVME-UHFFFAOYSA-N
MW2779.27 g/mol
LogP15.79
Rot. Bonds16

About 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164958747) has the molecular formula C148H111ClF6N46O6 and a molecular weight of 2779.27 g/mol. Its IUPAC name is 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164958747
Molecular FormulaC148H111ClF6N46O6
Molecular Weight2779.27 g/mol
Exact Mass2776.94
IUPAC Name4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(C#CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cc(F)n1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cc(F)cc(Cl)n5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cc(F)ccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cccc(C#N)n5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cncc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H22F3N9O.C30H24FN9O2.C30H22N10O.C29H21ClFN9O.C29H22FN9O/c1-39-18-24(16-37-39)22-11-26(29-23(12-34)15-38-42(29)19-22)21-3-4-27(36-14-21)40-6-8-41(9-7-40)28(43)5-2-20-10-25(17-35-13-20)30(31,32)33;1-37-18-24(17-34-37)22-13-25(30-23(14-32)16-35-40(30)19-22)21-4-5-27(33-15-21)38-7-9-39(10-8-38)29(41)6-3-20-11-26(31)36-28(12-20)42-2;1-37-19-24(18-34-37)22-13-27(30-23(14-31)17-35-40(30)20-22)21-5-7-28(33-16-21)38-9-11-39(12-10-38)29(41)8-6-25-3-2-4-26(15-32)36-25;1-37-17-22(16-34-37)20-10-25(29-21(13-32)15-35-40(29)18-20)19-2-4-27(33-14-19)38-6-8-39(9-7-38)28(41)5-3-24-11-23(31)12-26(30)36-24;1-36-18-23(17-34-36)21-12-26(29-22(14-31)16-35-39(29)19-21)20-2-4-27(33-15-20)37-8-10-38(11-9-37)28(40)5-3-25-13-24(30)6-7-32-25/h3-4,10-11,13-19H,6-9H2,1H3;4-5,11-13,15-19H,7-10H2,1-2H3;2-5,7,13,16-20H,9-12H2,1H3;2,4,10-12,14-18H,6-9H2,1H3;2,4,6-7,12-13,15-19H,8-11H2,1H3
InChIKeyBNOGONXLRBEVME-UHFFFAOYSA-N
XLogP15.79
TPSA574.22 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds16
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002779.27
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-[6-[4-[3-(3-chloro-5-fluorophenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-pyridin-2-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 165041584
4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164737651
4-[6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740052
4-[6-[4-[3-(5-methoxy-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(6-penta-2,4-diynyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-(4-penta-2,4-diynylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[6-(3-pyridin-3-ylprop-2-ynoyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(3-pyridin-3-ylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164988972
6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 165105109
4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 126740404
4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252
6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667060
4-[6-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740053
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde
CID 157078083
4-[6-[4-[3-hydroxy-6-(3-methoxyphenyl)hex-5-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146784506
4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740207

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164958747) is 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(C#CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cc(F)n1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cc(F)cc(Cl)n5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cc(F)ccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cccc(C#N)n5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cncc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is BNOGONXLRBEVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F3N9O.C30H24FN9O2.C30H22N10O.C29H21ClFN9O.C29H22FN9O/c1-39-18-24(16-37-39)22-11-26(29-23(12-34)15-38-42(29)19-22)21-3-4-27(36-14-21)40-6-8-41(9-7-40)28(43)5-2-20-10-25(17-35-13-20)30(31,32)33;1-37-18-24(17-34-37)22-13-25(30-23(14-32)16-35-40(30)19-22)21-4-5-27(33-15-21)38-7-9-39(10-8-38)29(41)6-3-20-11-26(31)36-28(12-20)42-2;1-37-19-24(18-34-37)22-13-27(30-23(14-31)17-35-40(30)20-22)21-5-7-28(33-16-21)38-9-11-39(12-10-38)29(41)8-6-25-3-2-4-26(15-32)36-25;1-37-17-22(16-34-37)20-10-25(29-21(13-32)15-35-40(29)18-20)19-2-4-27(33-14-19)38-6-8-39(9-7-38)28(41)5-3-24-11-23(31)12-26(30)36-24;1-36-18-23(17-34-36)21-12-26(29-22(14-31)16-35-39(29)19-21)20-2-4-27(33-15-20)37-8-10-38(11-9-37)28(40)5-3-25-13-24(30)6-7-32-25/h3-4,10-11,13-19H,6-9H2,1H3;4-5,11-13,15-19H,7-10H2,1-2H3;2-5,7,13,16-20H,9-12H2,1H3;2,4,10-12,14-18H,6-9H2,1H3;2,4,6-7,12-13,15-19H,8-11H2,1H3.
What are the key properties of 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 2779.27 g/mol, XLogP of 15.79, 16 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[3-(6-chloro-4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-cyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(4-fluoro-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164958747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).