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

C149H115ClF4N44O8 — CID 165041584

IUPAC4-[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
SMILESCOc1cc(C#CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)ccn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cc(F)cc(Cl)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cccc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cncc([N+](=O)[O-])c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C31H23F3N8O.C30H22ClFN8O.C30H25N9O2.C29H22N10O3.C29H23N9O/c1-39-19-25(18-37-39)23-14-27(30-24(15-35)17-38-42(30)20-23)22-6-7-28(36-16-22)40-9-11-41(12-10-40)29(43)8-5-21-3-2-4-26(13-21)31(32,33)34;1-37-18-24(17-35-37)22-12-27(30-23(14-33)16-36-40(30)19-22)21-3-4-28(34-15-21)38-6-8-39(9-7-38)29(41)5-2-20-10-25(31)13-26(32)11-20;1-36-19-25(18-34-36)23-14-26(30-24(15-31)17-35-39(30)20-23)22-4-5-27(33-16-22)37-9-11-38(12-10-37)29(40)6-3-21-7-8-32-28(13-21)41-2;1-35-18-24(16-33-35)22-11-26(29-23(12-30)15-34-38(29)19-22)21-3-4-27(32-14-21)36-6-8-37(9-7-36)28(40)5-2-20-10-25(39(41)42)17-31-13-20;1-35-19-24(18-33-35)22-14-26(29-23(15-30)17-34-38(29)20-22)21-5-7-27(32-16-21)36-10-12-37(13-11-36)28(39)8-6-25-4-2-3-9-31-25/h2-4,6-7,13-14,16-20H,9-12H2,1H3;3-4,10-13,15-19H,6-9H2,1H3;4-5,7-8,13-14,16-20H,9-12H2,1-2H3;3-4,10-11,13-19H,6-9H2,1H3;2-5,7,9,14,16-20H,10-13H2,1H3
InChIKeyOFFFAFFJMBYYIL-UHFFFAOYSA-N
MW2761.30 g/mol
LogP16.76
Rot. Bonds17

About 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

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 (PubChem CID 165041584) has the molecular formula C149H115ClF4N44O8 and a molecular weight of 2761.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID165041584
Molecular FormulaC149H115ClF4N44O8
Molecular Weight2761.30 g/mol
Exact Mass2758.96
IUPAC Name4-[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
SMILESCOc1cc(C#CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)ccn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cc(F)cc(Cl)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cccc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cncc([N+](=O)[O-])c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C31H23F3N8O.C30H22ClFN8O.C30H25N9O2.C29H22N10O3.C29H23N9O/c1-39-19-25(18-37-39)23-14-27(30-24(15-35)17-38-42(30)20-23)22-6-7-28(36-16-22)40-9-11-41(12-10-40)29(43)8-5-21-3-2-4-26(13-21)31(32,33)34;1-37-18-24(17-35-37)22-12-27(30-23(14-33)16-36-40(30)19-22)21-3-4-28(34-15-21)38-6-8-39(9-7-38)29(41)5-2-20-10-25(31)13-26(32)11-20;1-36-19-25(18-34-36)23-14-26(30-24(15-31)17-35-39(30)20-23)22-4-5-27(33-16-22)37-9-11-38(12-10-37)29(40)6-3-21-7-8-32-28(13-21)41-2;1-35-18-24(16-33-35)22-11-26(29-23(12-30)15-34-38(29)19-22)21-3-4-27(32-14-21)36-6-8-37(9-7-36)28(40)5-2-20-10-25(39(41)42)17-31-13-20;1-35-19-24(18-33-35)22-14-26(29-23(15-30)17-34-38(29)20-22)21-5-7-27(32-16-21)36-10-12-37(13-11-36)28(39)8-6-25-4-2-3-9-31-25/h2-4,6-7,13-14,16-20H,9-12H2,1H3;3-4,10-13,15-19H,6-9H2,1H3;4-5,7-8,13-14,16-20H,9-12H2,1-2H3;3-4,10-11,13-19H,6-9H2,1H3;2-5,7,9,14,16-20H,10-13H2,1H3
InChIKeyOFFFAFFJMBYYIL-UHFFFAOYSA-N
XLogP16.76
TPSA567.79 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds17
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002761.30
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C#CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)ccn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cc(F)cc(Cl)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cccc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#Cc5cncc([N+](=O)[O-])c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 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?
The InChIKey is OFFFAFFJMBYYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3N8O.C30H22ClFN8O.C30H25N9O2.C29H22N10O3.C29H23N9O/c1-39-19-25(18-37-39)23-14-27(30-24(15-35)17-38-42(30)20-23)22-6-7-28(36-16-22)40-9-11-41(12-10-40)29(43)8-5-21-3-2-4-26(13-21)31(32,33)34;1-37-18-24(17-35-37)22-12-27(30-23(14-33)16-36-40(30)19-22)21-3-4-28(34-15-21)38-6-8-39(9-7-38)29(41)5-2-20-10-25(31)13-26(32)11-20;1-36-19-25(18-34-36)23-14-26(30-24(15-31)17-35-39(30)20-23)22-4-5-27(33-16-22)37-9-11-38(12-10-37)29(40)6-3-21-7-8-32-28(13-21)41-2;1-35-18-24(16-33-35)22-11-26(29-23(12-30)15-34-38(29)19-22)21-3-4-27(32-14-21)36-6-8-37(9-7-36)28(40)5-2-20-10-25(39(41)42)17-31-13-20;1-35-19-24(18-33-35)22-14-26(29-23(15-30)17-34-38(29)20-22)21-5-7-27(32-16-21)36-10-12-37(13-11-36)28(39)8-6-25-4-2-3-9-31-25/h2-4,6-7,13-14,16-20H,9-12H2,1H3;3-4,10-13,15-19H,6-9H2,1H3;4-5,7-8,13-14,16-20H,9-12H2,1-2H3;3-4,10-11,13-19H,6-9H2,1H3;2-5,7,9,14,16-20H,10-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2761.30 g/mol, XLogP of 16.76, 17 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165041584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).