[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C₃₆H₄₄FN₇O₂ — CID 156829123

About [1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 156829123) has the molecular formula C₃₆H₄₄FN₇O₂ and a molecular weight of 625.79 g/mol. Its IUPAC name is [1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 156829123
• Molecular Formula: C₃₆H₄₄FN₇O₂
• Molecular Weight: 625.79 g/mol
• Exact Mass: 625.35
• IUPAC Name: [1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
• SMILES: Cc1c(-c2cc3ccc(N4CCC(C(=O)N5CCCC5)CC4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
• InChI: InChI=1S/C36H44FN7O2/c1-23-31-9-7-27(36(46)42-21-28(37)17-29(38)22-42)20-44(31)39-34(23)33-16-26-6-8-30(18-32(26)43(33)19-24-4-5-24)40-14-10-25(11-15-40)35(45)41-12-2-3-13-41/h6-9,16,18,20,24-25,28-29H,2-5,10-15,17,19,21-22,38H2,1H3/t28-,29-/m1/s1
• InChIKey: HMDXLSRPXZDELQ-FQLXRVMXSA-N
• XLogP: 5.02
• TPSA: 92.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.79
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 156829123) is [1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1c(-c2cc3ccc(N4CCC(C(=O)N5CCCC5)CC4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.

What is the InChIKey of [1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is HMDXLSRPXZDELQ-FQLXRVMXSA-N. The full InChI is InChI=1S/C36H44FN7O2/c1-23-31-9-7-27(36(46)42-21-28(37)17-29(38)22-42)20-44(31)39-34(23)33-16-26-6-8-30(18-32(26)43(33)19-24-4-5-24)40-14-10-25(11-15-40)35(45)41-12-2-3-13-41/h6-9,16,18,20,24-25,28-29H,2-5,10-15,17,19,21-22,38H2,1H3/t28-,29-/m1/s1.

What are the key properties of [1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?

[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 625.79 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 156829123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156829123 — identifiers, structure, computed properties (public domain)

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