N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide

C30H27N9O2 — CID 164818262

About N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide

N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide (PubChem CID 164818262) has the molecular formula C30H27N9O2 and a molecular weight of 545.61 g/mol. Its IUPAC name is N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide
• PubChem CID: 164818262
• Molecular Formula: C30H27N9O2
• Molecular Weight: 545.61 g/mol
• Exact Mass: 545.23
• IUPAC Name: N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide
• SMILES: COc1ccnc(C(=O)NCC2[C@H]3CN(c4ccc(-c5cc(-c6cnn(C)c6)cn6ncc(C#N)c56)cn4)C[C@@H]23)c1
• InChI: InChI=1S/C30H27N9O2/c1-37-14-21(12-35-37)19-7-23(29-20(9-31)11-36-39(29)15-19)18-3-4-28(33-10-18)38-16-25-24(26(25)17-38)13-34-30(40)27-8-22(41-2)5-6-32-27/h3-8,10-12,14-15,24-26H,13,16-17H2,1-2H3,(H,34,40)/t24?,25-,26+
• InChIKey: PJZNRNSYRGQYSS-NXMIGULDSA-N
• XLogP: 3.18
• TPSA: 126.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.61
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide?

The IUPAC name of N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide (CID 164818262) is N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide.

What is the SMILES notation for N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide?

The canonical SMILES for N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide is COc1ccnc(C(=O)NCC2[C@H]3CN(c4ccc(-c5cc(-c6cnn(C)c6)cn6ncc(C#N)c56)cn4)C[C@@H]23)c1.

What is the InChIKey of N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide?

The InChIKey is PJZNRNSYRGQYSS-NXMIGULDSA-N. The full InChI is InChI=1S/C30H27N9O2/c1-37-14-21(12-35-37)19-7-23(29-20(9-31)11-36-39(29)15-19)18-3-4-28(33-10-18)38-16-25-24(26(25)17-38)13-34-30(40)27-8-22(41-2)5-6-32-27/h3-8,10-12,14-15,24-26H,13,16-17H2,1-2H3,(H,34,40)/t24?,25-,26+.

What are the key properties of N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide?

N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide has a molecular weight of 545.61 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1S,5R)-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]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 164818262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).