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

C34H42N6O3 — CID 166709809

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

1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 166709809) has the molecular formula C34H42N6O3 and a molecular weight of 582.75 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)indol-7-yl]piperidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

• Compound Name: 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-hydroxypropan-1-one
• PubChem CID: 166709809
• Molecular Formula: C34H42N6O3
• Molecular Weight: 582.75 g/mol
• Exact Mass: 582.33
• IUPAC Name: 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-hydroxypropan-1-one
• SMILES: Cc1c(-c2cc3cccc(C4CCN(C(=O)C(C)O)CC4)c3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)ccc12
• InChI: InChI=1S/C34H42N6O3/c1-21-29-11-10-26(34(43)38-14-4-6-27(35)20-38)19-40(29)36-31(21)30-17-25-5-3-7-28(32(25)39(30)18-23-8-9-23)24-12-15-37(16-13-24)33(42)22(2)41/h3,5,7,10-11,17,19,22-24,27,41H,4,6,8-9,12-16,18,20,35H2,1-2H3/t22?,27-/m1/s1
• InChIKey: ZMHVWLZJEXXWPY-RZIURPKCSA-N
• XLogP: 4.32
• TPSA: 109.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.75
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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)indol-7-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

The IUPAC name of 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-hydroxypropan-1-one (CID 166709809) is 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-hydroxypropan-1-one.

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)indol-7-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

The canonical SMILES for 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-hydroxypropan-1-one is Cc1c(-c2cc3cccc(C4CCN(C(=O)C(C)O)CC4)c3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)ccc12.

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

The InChIKey is ZMHVWLZJEXXWPY-RZIURPKCSA-N. The full InChI is InChI=1S/C34H42N6O3/c1-21-29-11-10-26(34(43)38-14-4-6-27(35)20-38)19-40(29)36-31(21)30-17-25-5-3-7-28(32(25)39(30)18-23-8-9-23)24-12-15-37(16-13-24)33(42)22(2)41/h3,5,7,10-11,17,19,22-24,27,41H,4,6,8-9,12-16,18,20,35H2,1-2H3/t22?,27-/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)indol-7-yl]piperidin-1-yl]-2-hydroxypropan-1-one?

1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 582.75 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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)indol-7-yl]piperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 166709809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).