N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide

C32H31N9O2 — CID 155388144

About N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide

N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide (PubChem CID 155388144) has the molecular formula C32H31N9O2 and a molecular weight of 573.66 g/mol. Its IUPAC name is N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide
• PubChem CID: 155388144
• Molecular Formula: C32H31N9O2
• Molecular Weight: 573.66 g/mol
• Exact Mass: 573.26
• IUPAC Name: N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide
• SMILES: COc1ccc(C(=O)NC2(C)C[C@H]3CN(c4ccc(-c5cc(-c6cnn(C)c6)cn6ncc(C#N)c56)cn4)C[C@H]3C2)cn1
• InChI: InChI=1S/C32H31N9O2/c1-32(38-31(42)21-5-7-29(43-3)35-13-21)9-23-17-40(18-24(23)10-32)28-6-4-20(12-34-28)27-8-22(26-15-36-39(2)16-26)19-41-30(27)25(11-33)14-37-41/h4-8,12-16,19,23-24H,9-10,17-18H2,1-3H3,(H,38,42)/t23-,24+,32?
• InChIKey: MFHRMYAELCAISH-OHNATUCJSA-N
• XLogP: 4.11
• TPSA: 126.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.66
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide?

The IUPAC name of N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide (CID 155388144) is N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide.

What is the SMILES notation for N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide?

The canonical SMILES for N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NC2(C)C[C@H]3CN(c4ccc(-c5cc(-c6cnn(C)c6)cn6ncc(C#N)c56)cn4)C[C@H]3C2)cn1.

What is the InChIKey of N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide?

The InChIKey is MFHRMYAELCAISH-OHNATUCJSA-N. The full InChI is InChI=1S/C32H31N9O2/c1-32(38-31(42)21-5-7-29(43-3)35-13-21)9-23-17-40(18-24(23)10-32)28-6-4-20(12-34-28)27-8-22(26-15-36-39(2)16-26)19-41-30(27)25(11-33)14-37-41/h4-8,12-16,19,23-24H,9-10,17-18H2,1-3H3,(H,38,42)/t23-,24+,32?.

What are the key properties of N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide?

N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide has a molecular weight of 573.66 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aS,6aR)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155388144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).