(1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide

C30H28N10O3 — CID 175982269

About (1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide

(1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide (PubChem CID 175982269) has the molecular formula C30H28N10O3 and a molecular weight of 576.62 g/mol. Its IUPAC name is (1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide.

Molecular Properties

• Compound Name: (1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide
• PubChem CID: 175982269
• Molecular Formula: C30H28N10O3
• Molecular Weight: 576.62 g/mol
• Exact Mass: 576.23
• IUPAC Name: (1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide
• SMILES: COc1ccc(CN2CC(O)(C(N)=O)[C@H]3[C@@H]2CN3c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)cn1
• InChI: InChI=1S/C30H28N10O3/c1-37-14-22(12-35-37)20-7-23(27-21(8-31)11-36-40(27)15-20)19-4-5-25(33-10-19)39-16-24-28(39)30(42,29(32)41)17-38(24)13-18-3-6-26(43-2)34-9-18/h3-7,9-12,14-15,24,28,42H,13,16-17H2,1-2H3,(H2,32,41)/t24-,28+,30?/m0/s1
• InChIKey: ITUSWSIOUCDLQL-SAUKDLMZSA-N
• XLogP: 1.36
• TPSA: 163.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.62
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide?

The IUPAC name of (1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide (CID 175982269) is (1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide.

What is the SMILES notation for (1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide?

The canonical SMILES for (1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide is COc1ccc(CN2CC(O)(C(N)=O)[C@H]3[C@@H]2CN3c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)cn1.

What is the InChIKey of (1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide?

The InChIKey is ITUSWSIOUCDLQL-SAUKDLMZSA-N. The full InChI is InChI=1S/C30H28N10O3/c1-37-14-22(12-35-37)20-7-23(27-21(8-31)11-36-40(27)15-20)19-4-5-25(33-10-19)39-16-24-28(39)30(42,29(32)41)17-38(24)13-18-3-6-26(43-2)34-9-18/h3-7,9-12,14-15,24,28,42H,13,16-17H2,1-2H3,(H2,32,41)/t24-,28+,30?/m0/s1.

What are the key properties of (1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide?

(1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide has a molecular weight of 576.62 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5R)-6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-hydroxy-2-[(6-methoxy-3-pyridinyl)methyl]-2,6-diazabicyclo[3.2.0]heptane-4-carboxamide is sourced from PubChem (CID 175982269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).