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

C28H28N8O — CID 155388113

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

N-[(1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetamide (PubChem CID 155388113) has the molecular formula C28H28N8O and a molecular weight of 492.59 g/mol. Its IUPAC name is N-[(1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetamide
• PubChem CID: 155388113
• Molecular Formula: C28H28N8O
• Molecular Weight: 492.59 g/mol
• Exact Mass: 492.24
• IUPAC Name: N-[(1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetamide
• SMILES: CC(=O)NC12CC3C[C@H](C1)N(c1ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn1)[C@@H](C3)C2
• InChI: InChI=1S/C28H28N8O/c1-17(37)33-28-8-18-5-23(9-28)36(24(6-18)10-28)26-4-3-19(12-30-26)25-7-20(22-14-31-34(2)15-22)16-35-27(25)21(11-29)13-32-35/h3-4,7,12-16,18,23-24H,5-6,8-10H2,1-2H3,(H,33,37)/t18?,23-,24+,28?
• InChIKey: NNXNYLCKDMGARH-MNKMIBMFSA-N
• XLogP: 3.69
• TPSA: 104.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.59
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetamide (CID 155388113) is N-[(1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetamide.

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

The canonical SMILES for N-[(1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetamide is CC(=O)NC12CC3C[C@H](C1)N(c1ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn1)[C@@H](C3)C2.

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

The InChIKey is NNXNYLCKDMGARH-MNKMIBMFSA-N. The full InChI is InChI=1S/C28H28N8O/c1-17(37)33-28-8-18-5-23(9-28)36(24(6-18)10-28)26-4-3-19(12-30-26)25-7-20(22-14-31-34(2)15-22)16-35-27(25)21(11-29)13-32-35/h3-4,7,12-16,18,23-24H,5-6,8-10H2,1-2H3,(H,33,37)/t18?,23-,24+,28?.

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

N-[(1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetamide has a molecular weight of 492.59 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3S)-2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetamide is sourced from PubChem (CID 155388113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).