(1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide

C33H31N9O2 — CID 175729283

About (1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide

(1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide (PubChem CID 175729283) has the molecular formula C33H31N9O2 and a molecular weight of 585.67 g/mol. Its IUPAC name is (1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide.

Molecular Properties

• Compound Name: (1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide
• PubChem CID: 175729283
• Molecular Formula: C33H31N9O2
• Molecular Weight: 585.67 g/mol
• Exact Mass: 585.26
• IUPAC Name: (1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide
• SMILES: COc1ccc(NC(=O)C23CC4C[C@H](C2)N(c2ccc(-c5cc(-c6cnn(C)c6)cn6ncc(C#N)c56)cn2)[C@@H](C4)C3)cn1
• InChI: InChI=1S/C33H31N9O2/c1-40-18-24(16-37-40)22-9-28(31-23(13-34)15-38-41(31)19-22)21-3-5-29(35-14-21)42-26-7-20-8-27(42)12-33(10-20,11-26)32(43)39-25-4-6-30(44-2)36-17-25/h3-6,9,14-20,26-27H,7-8,10-12H2,1-2H3,(H,39,43)/t20?,26-,27+,33?
• InChIKey: AKKXYFBYOQSKGF-AIFBUCLHSA-N
• XLogP: 4.85
• TPSA: 126.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.67
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide?

The IUPAC name of (1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide (CID 175729283) is (1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide.

What is the SMILES notation for (1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide?

The canonical SMILES for (1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide is COc1ccc(NC(=O)C23CC4C[C@H](C2)N(c2ccc(-c5cc(-c6cnn(C)c6)cn6ncc(C#N)c56)cn2)[C@@H](C4)C3)cn1.

What is the InChIKey of (1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide?

The InChIKey is AKKXYFBYOQSKGF-AIFBUCLHSA-N. The full InChI is InChI=1S/C33H31N9O2/c1-40-18-24(16-37-40)22-9-28(31-23(13-34)15-38-41(31)19-22)21-3-5-29(35-14-21)42-26-7-20-8-27(42)12-33(10-20,11-26)32(43)39-25-4-6-30(44-2)36-17-25/h3-6,9,14-20,26-27H,7-8,10-12H2,1-2H3,(H,39,43)/t20?,26-,27+,33?.

What are the key properties of (1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide?

(1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide has a molecular weight of 585.67 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide is sourced from PubChem (CID 175729283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).