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

C36H44N6O3 — CID 166709518

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

[3-[2-[6-(3-aminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-(4-hydroxycyclohexyl)methanone (PubChem CID 166709518) has the molecular formula C36H44N6O3 and a molecular weight of 608.79 g/mol. Its IUPAC name is [3-[2-[6-(3-aminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-(4-hydroxycyclohexyl)methanone.

Molecular Properties

• Compound Name: [3-[2-[6-(3-aminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
• PubChem CID: 166709518
• Molecular Formula: C36H44N6O3
• Molecular Weight: 608.79 g/mol
• Exact Mass: 608.35
• IUPAC Name: [3-[2-[6-(3-aminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
• SMILES: Cc1c(-c2cc3cccc(C4CN(C(=O)C5CCC(O)CC5)C4)c3n2CC2CC2)nn2cc(C(=O)N3CCCC(N)C3)ccc12
• InChI: InChI=1S/C36H44N6O3/c1-22-31-14-11-26(36(45)39-15-3-5-28(37)21-39)20-42(31)38-33(22)32-16-25-4-2-6-30(34(25)41(32)17-23-7-8-23)27-18-40(19-27)35(44)24-9-12-29(43)13-10-24/h2,4,6,11,14,16,20,23-24,27-29,43H,3,5,7-10,12-13,15,17-19,21,37H2,1H3
• InChIKey: TWYDFTDLDAMGKO-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 109.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.79
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [3-[2-[6-(3-aminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-(4-hydroxycyclohexyl)methanone (CID 166709518) is [3-[2-[6-(3-aminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-(4-hydroxycyclohexyl)methanone.

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

The canonical SMILES for [3-[2-[6-(3-aminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-(4-hydroxycyclohexyl)methanone is Cc1c(-c2cc3cccc(C4CN(C(=O)C5CCC(O)CC5)C4)c3n2CC2CC2)nn2cc(C(=O)N3CCCC(N)C3)ccc12.

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

The InChIKey is TWYDFTDLDAMGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N6O3/c1-22-31-14-11-26(36(45)39-15-3-5-28(37)21-39)20-42(31)38-33(22)32-16-25-4-2-6-30(34(25)41(32)17-23-7-8-23)27-18-40(19-27)35(44)24-9-12-29(43)13-10-24/h2,4,6,11,14,16,20,23-24,27-29,43H,3,5,7-10,12-13,15,17-19,21,37H2,1H3.

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

[3-[2-[6-(3-aminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-(4-hydroxycyclohexyl)methanone has a molecular weight of 608.79 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[6-(3-aminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-(4-hydroxycyclohexyl)methanone is sourced from PubChem (CID 166709518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).