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]-3-methylbutanamide

C28H30N8O — CID 155406302

About 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]-3-methylbutanamide

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]-3-methylbutanamide (PubChem CID 155406302) has the molecular formula C28H30N8O and a molecular weight of 494.60 g/mol. Its IUPAC name is 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]-3-methylbutanamide.

Molecular Properties

• Compound Name: 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]-3-methylbutanamide
• PubChem CID: 155406302
• Molecular Formula: C28H30N8O
• Molecular Weight: 494.60 g/mol
• Exact Mass: 494.25
• IUPAC Name: 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]-3-methylbutanamide
• SMILES: CC(C)CC(=O)NCC1[C@H]2CN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)C[C@@H]12
• InChI: InChI=1S/C28H30N8O/c1-17(2)6-27(37)31-12-23-24-15-35(16-25(23)24)26-5-4-18(9-30-26)22-7-19(21-11-32-34(3)13-21)14-36-28(22)20(8-29)10-33-36/h4-5,7,9-11,13-14,17,23-25H,6,12,15-16H2,1-3H3,(H,31,37)/t23?,24-,25+
• InChIKey: SJFCWLUHPKHHRN-QILAJZQNSA-N
• XLogP: 3.51
• TPSA: 104.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.60
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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]-3-methylbutanamide?

The IUPAC name of 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]-3-methylbutanamide (CID 155406302) is 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]-3-methylbutanamide.

What is the SMILES notation for 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]-3-methylbutanamide?

The canonical SMILES for 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]-3-methylbutanamide is CC(C)CC(=O)NCC1[C@H]2CN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)C[C@@H]12.

What is the InChIKey of 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]-3-methylbutanamide?

The InChIKey is SJFCWLUHPKHHRN-QILAJZQNSA-N. The full InChI is InChI=1S/C28H30N8O/c1-17(2)6-27(37)31-12-23-24-15-35(16-25(23)24)26-5-4-18(9-30-26)22-7-19(21-11-32-34(3)13-21)14-36-28(22)20(8-29)10-33-36/h4-5,7,9-11,13-14,17,23-25H,6,12,15-16H2,1-3H3,(H,31,37)/t23?,24-,25+.

What are the key properties of 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]-3-methylbutanamide?

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]-3-methylbutanamide has a molecular weight of 494.60 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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]-3-methylbutanamide is sourced from PubChem (CID 155406302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).