1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C114H113N31O4 — CID 165109145

About 1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165109145) has the molecular formula C114H113N31O4 and a molecular weight of 1981.37 g/mol. Its IUPAC name is 1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 165109145
• Molecular Formula: C114H113N31O4
• Molecular Weight: 1981.37 g/mol
• Exact Mass: 1979.96
• IUPAC Name: 1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C#CC(=O)N1CCC2(CCC(Cc3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)CC1.C#CC(=O)NC1(C)CCC(Cc2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)NC1.C#CCNC(=O)N1CCC(Cc2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.C#CCNC(=O)NC1(C)CCC(Cc2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C31H31N7O.C29H30N8O.2C27H26N8O/c1-3-29(39)37-12-10-31(11-13-37)8-6-22(7-9-31)14-27-5-4-23(17-33-27)28-15-24(26-19-34-36(2)20-26)21-38-30(28)25(16-32)18-35-38;1-4-11-31-28(38)35-29(2)9-7-20(8-10-29)12-25-6-5-21(15-32-25)26-13-22(24-17-33-36(3)18-24)19-37-27(26)23(14-30)16-34-37;1-4-25(36)33-27(2)8-7-23(30-17-27)10-22-6-5-18(12-29-22)24-9-19(21-14-31-34(3)15-21)16-35-26(24)20(11-28)13-32-35;1-3-8-29-27(36)34-9-6-19(7-10-34)11-24-5-4-20(14-30-24)25-12-21(23-16-31-33(2)17-23)18-35-26(25)22(13-28)15-32-35/h1,4-5,15,17-22H,6-14H2,2H3;1,5-6,13,15-20H,7-12H2,2-3H3,(H2,31,35,38);1,5-6,9,12-16,23,30H,7-8,10,17H2,2-3H3,(H,33,36);1,4-5,12,14-19H,6-11H2,2H3,(H,29,36)
• InChIKey: ZQPXVEOJJYFLKJ-UHFFFAOYSA-N
• XLogP: 14.47
• TPSA: 422.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1981.37
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165109145) is 1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(=O)N1CCC2(CCC(Cc3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)CC1.C#CC(=O)NC1(C)CCC(Cc2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)NC1.C#CCNC(=O)N1CCC(Cc2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.C#CCNC(=O)NC1(C)CCC(Cc2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is ZQPXVEOJJYFLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N7O.C29H30N8O.2C27H26N8O/c1-3-29(39)37-12-10-31(11-13-37)8-6-22(7-9-31)14-27-5-4-23(17-33-27)28-15-24(26-19-34-36(2)20-26)21-38-30(28)25(16-32)18-35-38;1-4-11-31-28(38)35-29(2)9-7-20(8-10-29)12-25-6-5-21(15-32-25)26-13-22(24-17-33-36(3)18-24)19-37-27(26)23(14-30)16-34-37;1-4-25(36)33-27(2)8-7-23(30-17-27)10-22-6-5-18(12-29-22)24-9-19(21-14-31-34(3)15-21)16-35-26(24)20(11-28)13-32-35;1-3-8-29-27(36)34-9-6-19(7-10-34)11-24-5-4-20(14-30-24)25-12-21(23-16-31-33(2)17-23)18-35-26(25)22(13-28)15-32-35/h1,4-5,15,17-22H,6-14H2,2H3;1,5-6,13,15-20H,7-12H2,2-3H3,(H2,31,35,38);1,5-6,9,12-16,23,30H,7-8,10,17H2,2-3H3,(H,33,36);1,4-5,12,14-19H,6-11H2,2H3,(H,29,36).

What are the key properties of 1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1981.37 g/mol, XLogP of 14.47, 20 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-1-methylcyclohexyl]-3-prop-2-ynylurea;N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-3-methylpiperidin-3-yl]prop-2-ynamide;4-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide;6-(1-methylpyrazol-4-yl)-4-[6-[(3-prop-2-ynoyl-3-azaspiro[5.5]undecan-9-yl)methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165109145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).