methyl N-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylcarbamate

C34H43N7O3 — CID 156829499

About methyl N-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylcarbamate

methyl N-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylcarbamate (PubChem CID 156829499) has the molecular formula C34H43N7O3 and a molecular weight of 597.76 g/mol. Its IUPAC name is methyl N-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: methyl N-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylcarbamate
• PubChem CID: 156829499
• Molecular Formula: C34H43N7O3
• Molecular Weight: 597.76 g/mol
• Exact Mass: 597.34
• IUPAC Name: methyl N-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylcarbamate
• SMILES: COC(=O)N(C)C1CCN(c2ccc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)ccc5c4C)n(CC4CC4)c3c2)CC1
• InChI: InChI=1S/C34H43N7O3/c1-22-29-11-9-25(33(42)39-14-4-5-26(35)21-39)20-41(29)36-32(22)31-17-24-8-10-28(18-30(24)40(31)19-23-6-7-23)38-15-12-27(13-16-38)37(2)34(43)44-3/h8-11,17-18,20,23,26-27H,4-7,12-16,19,21,35H2,1-3H3/t26-/m1/s1
• InChIKey: ZFPXRSJPMOOUNC-AREMUKBSSA-N
• XLogP: 4.90
• TPSA: 101.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.76
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of methyl N-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylcarbamate (CID 156829499) is methyl N-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylcarbamate.

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

The canonical SMILES for methyl N-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylcarbamate is COC(=O)N(C)C1CCN(c2ccc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)ccc5c4C)n(CC4CC4)c3c2)CC1.

What is the InChIKey of methyl N-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylcarbamate?

The InChIKey is ZFPXRSJPMOOUNC-AREMUKBSSA-N. The full InChI is InChI=1S/C34H43N7O3/c1-22-29-11-9-25(33(42)39-14-4-5-26(35)21-39)20-41(29)36-32(22)31-17-24-8-10-28(18-30(24)40(31)19-23-6-7-23)38-15-12-27(13-16-38)37(2)34(43)44-3/h8-11,17-18,20,23,26-27H,4-7,12-16,19,21,35H2,1-3H3/t26-/m1/s1.

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

methyl N-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylcarbamate has a molecular weight of 597.76 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 156829499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).