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

C33H32F2N6O2 — CID 156828904

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

4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide (PubChem CID 156828904) has the molecular formula C33H32F2N6O2 and a molecular weight of 582.66 g/mol. Its IUPAC name is 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide
• PubChem CID: 156828904
• Molecular Formula: C33H32F2N6O2
• Molecular Weight: 582.66 g/mol
• Exact Mass: 582.26
• IUPAC Name: 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide
• SMILES: Cc1c(-c2cc3ccc(-c4ccc(C(N)=O)c(F)c4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
• InChI: InChI=1S/C33H32F2N6O2/c1-18-28-9-7-23(33(43)39-16-24(34)13-25(36)17-39)15-41(28)38-31(18)30-12-22-5-4-21(11-29(22)40(30)14-19-2-3-19)20-6-8-26(32(37)42)27(35)10-20/h4-12,15,19,24-25H,2-3,13-14,16-17,36H2,1H3,(H2,37,42)/t24-,25-/m1/s1
• InChIKey: RYVHQTFSLWDVJB-JWQCQUIFSA-N
• XLogP: 5.09
• TPSA: 111.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.66
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide (CID 156828904) is 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide.

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

The canonical SMILES for 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide is Cc1c(-c2cc3ccc(-c4ccc(C(N)=O)c(F)c4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.

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

The InChIKey is RYVHQTFSLWDVJB-JWQCQUIFSA-N. The full InChI is InChI=1S/C33H32F2N6O2/c1-18-28-9-7-23(33(43)39-16-24(34)13-25(36)17-39)15-41(28)38-31(18)30-12-22-5-4-21(11-29(22)40(30)14-19-2-3-19)20-6-8-26(32(37)42)27(35)10-20/h4-12,15,19,24-25H,2-3,13-14,16-17,36H2,1H3,(H2,37,42)/t24-,25-/m1/s1.

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

4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide has a molecular weight of 582.66 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2-fluorobenzamide is sourced from PubChem (CID 156828904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).