4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C176H145F7N54 — CID 164985799

IUPAC4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CC5CC(C4)N5CC#Cc4ccc(F)nc4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5ccc(F)cn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5ccc(F)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5cccc(F)n5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5ccncc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5cncc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H24F3N9.C30H24FN9.3C29H24FN9.C29H25N9/c1-39-19-25(17-37-39)23-12-27(29-24(13-34)16-38-42(29)20-23)22-4-5-28(36-15-22)41-9-7-40(8-10-41)6-2-3-21-11-26(18-35-14-21)30(31,32)33;1-37-16-24(15-35-37)22-9-27(30-23(11-32)14-36-40(30)17-22)21-5-7-29(34-13-21)38-18-25-10-26(19-38)39(25)8-2-3-20-4-6-28(31)33-12-20;1-36-19-24(18-33-36)22-14-26(29-23(15-31)17-34-39(29)20-22)21-7-8-28(32-16-21)38-12-10-37(11-13-38)9-3-5-25-4-2-6-27(30)35-25;1-36-19-24(17-34-36)22-13-27(29-23(14-31)16-35-39(29)20-22)21-4-7-28(33-15-21)38-11-9-37(10-12-38)8-2-3-26-6-5-25(30)18-32-26;1-36-19-25(18-34-36)23-13-26(29-24(14-31)17-35-39(29)20-23)22-5-7-28(33-16-22)38-11-9-37(10-12-38)8-2-3-21-4-6-27(30)32-15-21;1-35-20-26(19-33-35)24-15-27(29-25(16-30)18-34-38(29)21-24)23-4-5-28(32-17-23)37-13-11-36(12-14-37)10-2-3-22-6-8-31-9-7-22/h4-5,11-12,14-20H,6-10H2,1H3;4-7,9,12-17,25-26H,8,10,18-19H2,1H3;2,4,6-8,14,16-20H,9-13H2,1H3;2*4-7,13,15-20H,8-12H2,1H3;4-9,15,17-21H,10-14H2,1H3
InChIKeyGDJIBAKZGJFJQF-UHFFFAOYSA-N
MW3149.46 g/mol
LogP21.14
Rot. Bonds24

About 4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164985799) has the molecular formula C176H145F7N54 and a molecular weight of 3149.46 g/mol. Its IUPAC name is 4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164985799
Molecular FormulaC176H145F7N54
Molecular Weight3149.46 g/mol
Exact Mass3147.29
IUPAC Name4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CC5CC(C4)N5CC#Cc4ccc(F)nc4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5ccc(F)cn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5ccc(F)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5cccc(F)n5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5ccncc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5cncc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H24F3N9.C30H24FN9.3C29H24FN9.C29H25N9/c1-39-19-25(17-37-39)23-12-27(29-24(13-34)16-38-42(29)20-23)22-4-5-28(36-15-22)41-9-7-40(8-10-41)6-2-3-21-11-26(18-35-14-21)30(31,32)33;1-37-16-24(15-35-37)22-9-27(30-23(11-32)14-36-40(30)17-22)21-5-7-29(34-13-21)38-18-25-10-26(19-38)39(25)8-2-3-20-4-6-28(31)33-12-20;1-36-19-24(18-33-36)22-14-26(29-23(15-31)17-34-39(29)20-22)21-7-8-28(32-16-21)38-12-10-37(11-13-38)9-3-5-25-4-2-6-27(30)35-25;1-36-19-24(17-34-36)22-13-27(29-23(14-31)16-35-39(29)20-22)21-4-7-28(33-15-21)38-11-9-37(10-12-38)8-2-3-26-6-5-25(30)18-32-26;1-36-19-25(18-34-36)23-13-26(29-24(14-31)17-35-39(29)20-23)22-5-7-28(33-16-22)38-11-9-37(10-12-38)8-2-3-21-4-6-27(30)32-15-21;1-35-20-26(19-33-35)24-15-27(29-25(16-30)18-34-38(29)21-24)23-4-5-28(32-17-23)37-13-11-36(12-14-37)10-2-3-22-6-8-31-9-7-22/h4-5,11-12,14-20H,6-10H2,1H3;4-7,9,12-17,25-26H,8,10,18-19H2,1H3;2,4,6-8,14,16-20H,9-13H2,1H3;2*4-7,13,15-20H,8-12H2,1H3;4-9,15,17-21H,10-14H2,1H3
InChIKeyGDJIBAKZGJFJQF-UHFFFAOYSA-N
XLogP21.14
TPSA547.02 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds24
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003149.46
LogP ≤ 521.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

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

Analyze 4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]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-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164985799) is 4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CC5CC(C4)N5CC#Cc4ccc(F)nc4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5ccc(F)cn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5ccc(F)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5cccc(F)n5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5ccncc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5cncc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is GDJIBAKZGJFJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N9.C30H24FN9.3C29H24FN9.C29H25N9/c1-39-19-25(17-37-39)23-12-27(29-24(13-34)16-38-42(29)20-23)22-4-5-28(36-15-22)41-9-7-40(8-10-41)6-2-3-21-11-26(18-35-14-21)30(31,32)33;1-37-16-24(15-35-37)22-9-27(30-23(11-32)14-36-40(30)17-22)21-5-7-29(34-13-21)38-18-25-10-26(19-38)39(25)8-2-3-20-4-6-28(31)33-12-20;1-36-19-24(18-33-36)22-14-26(29-23(15-31)17-34-39(29)20-22)21-7-8-28(32-16-21)38-12-10-37(11-13-38)9-3-5-25-4-2-6-27(30)35-25;1-36-19-24(17-34-36)22-13-27(29-23(14-31)16-35-39(29)20-22)21-4-7-28(33-15-21)38-11-9-37(10-12-38)8-2-3-26-6-5-25(30)18-32-26;1-36-19-25(18-34-36)23-13-26(29-24(14-31)17-35-39(29)20-23)22-5-7-28(33-16-22)38-11-9-37(10-12-38)8-2-3-21-4-6-27(30)32-15-21;1-35-20-26(19-33-35)24-15-27(29-25(16-30)18-34-38(29)21-24)23-4-5-28(32-17-23)37-13-11-36(12-14-37)10-2-3-22-6-8-31-9-7-22/h4-5,11-12,14-20H,6-10H2,1H3;4-7,9,12-17,25-26H,8,10,18-19H2,1H3;2,4,6-8,14,16-20H,9-13H2,1H3;2*4-7,13,15-20H,8-12H2,1H3;4-9,15,17-21H,10-14H2,1H3.
What are the key properties of 4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 3149.46 g/mol, XLogP of 21.14, 24 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(5-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-2-pyridinyl)prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[3-(6-fluoro-3-pyridinyl)prop-2-ynyl]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-pyridin-4-ylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164985799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).