1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone

C32H38N6O3 — CID 166709749

About 1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone

1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone (PubChem CID 166709749) has the molecular formula C32H38N6O3 and a molecular weight of 554.70 g/mol. Its IUPAC name is 1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone
• PubChem CID: 166709749
• Molecular Formula: C32H38N6O3
• Molecular Weight: 554.70 g/mol
• Exact Mass: 554.30
• IUPAC Name: 1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone
• SMILES: COc1cc(C(=O)N2CCCC(N)C2)cn2nc(-c3cc4cccc(C5CN(C(C)=O)C5)c4n3CC3CC3)c(C)c12
• InChI: InChI=1S/C32H38N6O3/c1-19-29(34-38-17-23(13-28(41-3)30(19)38)32(40)35-11-5-7-25(33)18-35)27-12-22-6-4-8-26(24-15-36(16-24)20(2)39)31(22)37(27)14-21-9-10-21/h4,6,8,12-13,17,21,24-25H,5,7,9-11,14-16,18,33H2,1-3H3
• InChIKey: DZXSUPUCFGWESR-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 98.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.70
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone?

The IUPAC name of 1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone (CID 166709749) is 1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone.

What is the SMILES notation for 1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone?

The canonical SMILES for 1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone is COc1cc(C(=O)N2CCCC(N)C2)cn2nc(-c3cc4cccc(C5CN(C(C)=O)C5)c4n3CC3CC3)c(C)c12.

What is the InChIKey of 1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone?

The InChIKey is DZXSUPUCFGWESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O3/c1-19-29(34-38-17-23(13-28(41-3)30(19)38)32(40)35-11-5-7-25(33)18-35)27-12-22-6-4-8-26(24-15-36(16-24)20(2)39)31(22)37(27)14-21-9-10-21/h4,6,8,12-13,17,21,24-25H,5,7,9-11,14-16,18,33H2,1-3H3.

What are the key properties of 1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone?

1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone has a molecular weight of 554.70 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 166709749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).