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

C31H36N6O3 — CID 156829825

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

(5R)-5-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 156829825) has the molecular formula C31H36N6O3 and a molecular weight of 540.67 g/mol. Its IUPAC name is (5R)-5-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one
• PubChem CID: 156829825
• Molecular Formula: C31H36N6O3
• Molecular Weight: 540.67 g/mol
• Exact Mass: 540.28
• IUPAC Name: (5R)-5-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one
• SMILES: Cc1c(-c2cc3cccc(OC[C@H]4CCC(=O)N4)c3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)ccc12
• InChI: InChI=1S/C31H36N6O3/c1-19-25-11-9-22(31(39)35-13-3-5-23(32)17-35)16-37(25)34-29(19)26-14-21-4-2-6-27(30(21)36(26)15-20-7-8-20)40-18-24-10-12-28(38)33-24/h2,4,6,9,11,14,16,20,23-24H,3,5,7-8,10,12-13,15,17-18,32H2,1H3,(H,33,38)/t23-,24-/m1/s1
• InChIKey: NQAWFKTVSVIIDK-DNQXCXABSA-N
• XLogP: 3.90
• TPSA: 106.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.67
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one?

The IUPAC name of (5R)-5-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one (CID 156829825) is (5R)-5-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one.

What is the SMILES notation for (5R)-5-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one?

The canonical SMILES for (5R)-5-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one is Cc1c(-c2cc3cccc(OC[C@H]4CCC(=O)N4)c3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)ccc12.

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

The InChIKey is NQAWFKTVSVIIDK-DNQXCXABSA-N. The full InChI is InChI=1S/C31H36N6O3/c1-19-25-11-9-22(31(39)35-13-3-5-23(32)17-35)16-37(25)34-29(19)26-14-21-4-2-6-27(30(21)36(26)15-20-7-8-20)40-18-24-10-12-28(38)33-24/h2,4,6,9,11,14,16,20,23-24H,3,5,7-8,10,12-13,15,17-18,32H2,1H3,(H,33,38)/t23-,24-/m1/s1.

What are the key properties of (5R)-5-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one?

(5R)-5-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 540.67 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 156829825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).