N-[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]-N-methylmethanesulfonamide

C₃₃H₄₂FN₇O₃S — CID 156829568

About N-[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]-N-methylmethanesulfonamide

N-[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]-N-methylmethanesulfonamide (PubChem CID 156829568) has the molecular formula C₃₃H₄₂FN₇O₃S and a molecular weight of 635.81 g/mol. Its IUPAC name is N-[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]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[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]-N-methylmethanesulfonamide
• PubChem CID: 156829568
• Molecular Formula: C₃₃H₄₂FN₇O₃S
• Molecular Weight: 635.81 g/mol
• Exact Mass: 635.31
• IUPAC Name: N-[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]-N-methylmethanesulfonamide
• SMILES: Cc1c(-c2cc3ccc(N4CCC(N(C)S(C)(=O)=O)CC4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
• InChI: InChI=1S/C33H42FN7O3S/c1-21-29-9-7-24(33(42)39-19-25(34)15-26(35)20-39)18-41(29)36-32(21)31-14-23-6-8-28(16-30(23)40(31)17-22-4-5-22)38-12-10-27(11-13-38)37(2)45(3,43)44/h6-9,14,16,18,22,25-27H,4-5,10-13,15,17,19-20,35H2,1-3H3/t25-,26-/m1/s1
• InChIKey: LDLZHURWZUOHPH-CLJLJLNGSA-N
• XLogP: 4.05
• TPSA: 109.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.81
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[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]-N-methylmethanesulfonamide?

The IUPAC name of N-[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]-N-methylmethanesulfonamide (CID 156829568) is N-[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]-N-methylmethanesulfonamide.

What is the SMILES notation for N-[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]-N-methylmethanesulfonamide?

The canonical SMILES for N-[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]-N-methylmethanesulfonamide is Cc1c(-c2cc3ccc(N4CCC(N(C)S(C)(=O)=O)CC4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.

What is the InChIKey of N-[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]-N-methylmethanesulfonamide?

The InChIKey is LDLZHURWZUOHPH-CLJLJLNGSA-N. The full InChI is InChI=1S/C33H42FN7O3S/c1-21-29-9-7-24(33(42)39-19-25(34)15-26(35)20-39)18-41(29)36-32(21)31-14-23-6-8-28(16-30(23)40(31)17-22-4-5-22)38-12-10-27(11-13-38)37(2)45(3,43)44/h6-9,14,16,18,22,25-27H,4-5,10-13,15,17,19-20,35H2,1-3H3/t25-,26-/m1/s1.

What are the key properties of N-[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]-N-methylmethanesulfonamide?

N-[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]-N-methylmethanesulfonamide has a molecular weight of 635.81 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[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]-N-methylmethanesulfonamide is sourced from PubChem (CID 156829568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156829568 — identifiers, structure, computed properties (public domain)

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