4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane

C59H54Cl2N18O3 — CID 164998951

About 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane

4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane (PubChem CID 164998951) has the molecular formula C59H54Cl2N18O3 and a molecular weight of 1134.11 g/mol. Its IUPAC name is 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane.

Molecular Properties

• Compound Name: 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane
• PubChem CID: 164998951
• Molecular Formula: C59H54Cl2N18O3
• Molecular Weight: 1134.11 g/mol
• Exact Mass: 1132.40
• IUPAC Name: 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane
• SMILES: C.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(CN)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(CNC(=O)c6ncccc6Cl)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.O=C(O)c1ncccc1Cl
• InChI: InChI=1S/C29H24ClN9O.C23H22N8.C6H4ClNO2.CH4/c1-37-13-20(11-35-37)18-7-21(28-19(8-31)10-36-39(28)14-18)17-4-5-26(33-9-17)38-15-23-22(24(23)16-38)12-34-29(40)27-25(30)3-2-6-32-27;1-29-10-17(9-27-29)15-4-18(23-16(5-24)8-28-31(23)11-15)14-2-3-22(26-7-14)30-12-20-19(6-25)21(20)13-30;7-4-2-1-3-8-5(4)6(9)10;/h2-7,9-11,13-14,22-24H,12,15-16H2,1H3,(H,34,40);2-4,7-11,19-21H,6,12-13,25H2,1H3;1-3H,(H,9,10);1H4/t22?,23-,24+;19?,20-,21+
• InChIKey: HYMRNODZXUWBQS-WSLODCGRSA-N
• XLogP: 8.21
• TPSA: 268.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1134.11
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane?

The IUPAC name of 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane (CID 164998951) is 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane.

What is the SMILES notation for 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane?

The canonical SMILES for 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane is C.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(CN)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(CNC(=O)c6ncccc6Cl)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.O=C(O)c1ncccc1Cl.

What is the InChIKey of 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane?

The InChIKey is HYMRNODZXUWBQS-WSLODCGRSA-N. The full InChI is InChI=1S/C29H24ClN9O.C23H22N8.C6H4ClNO2.CH4/c1-37-13-20(11-35-37)18-7-21(28-19(8-31)10-36-39(28)14-18)17-4-5-26(33-9-17)38-15-23-22(24(23)16-38)12-34-29(40)27-25(30)3-2-6-32-27;1-29-10-17(9-27-29)15-4-18(23-16(5-24)8-28-31(23)11-15)14-2-3-22(26-7-14)30-12-20-19(6-25)21(20)13-30;7-4-2-1-3-8-5(4)6(9)10;/h2-7,9-11,13-14,22-24H,12,15-16H2,1H3,(H,34,40);2-4,7-11,19-21H,6,12-13,25H2,1H3;1-3H,(H,9,10);1H4/t22?,23-,24+;19?,20-,21+;;.

What are the key properties of 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane?

4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane has a molecular weight of 1134.11 g/mol, XLogP of 8.21, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane is sourced from PubChem (CID 164998951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).