1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]ethanone

C33H39FN6O2 — CID 156829658

About 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]ethanone

1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]ethanone (PubChem CID 156829658) has the molecular formula C33H39FN6O2 and a molecular weight of 570.71 g/mol. Its IUPAC name is 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]ethanone
• PubChem CID: 156829658
• Molecular Formula: C33H39FN6O2
• Molecular Weight: 570.71 g/mol
• Exact Mass: 570.31
• IUPAC Name: 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(c2cc(F)cc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)ccc5c4C)n(CC4CC4)c23)CC1
• InChI: InChI=1S/C33H39FN6O2/c1-20-29-8-7-24(33(42)38-11-3-4-27(35)19-38)18-40(29)36-31(20)30-15-25-14-26(34)16-28(32(25)39(30)17-22-5-6-22)23-9-12-37(13-10-23)21(2)41/h7-8,14-16,18,22-23,27H,3-6,9-13,17,19,35H2,1-2H3/t27-/m1/s1
• InChIKey: VMWNIXQHLMWFRW-HHHXNRCGSA-N
• XLogP: 5.10
• TPSA: 88.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.71
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]ethanone (CID 156829658) is 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(F)cc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)ccc5c4C)n(CC4CC4)c23)CC1.

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

The InChIKey is VMWNIXQHLMWFRW-HHHXNRCGSA-N. The full InChI is InChI=1S/C33H39FN6O2/c1-20-29-8-7-24(33(42)38-11-3-4-27(35)19-38)18-40(29)36-31(20)30-15-25-14-26(34)16-28(32(25)39(30)17-22-5-6-22)23-9-12-37(13-10-23)21(2)41/h7-8,14-16,18,22-23,27H,3-6,9-13,17,19,35H2,1-2H3/t27-/m1/s1.

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

1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]ethanone has a molecular weight of 570.71 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 156829658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).