4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

C31H38N4O2 — CID 134329518

IUPAC4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)C5CC(=O)N(C)C5)CC4)cc3c2C(C)C)cc(C2CC2)n1
InChIInChI=1S/C31H38N4O2/c1-18(2)29-25-14-22(20-9-11-35(12-10-20)31(37)24-16-28(36)34(4)17-24)7-8-26(25)33-30(29)23-13-19(3)32-27(15-23)21-5-6-21/h7-8,13-15,18,20-21,24,33H,5-6,9-12,16-17H2,1-4H3
InChIKeyIBYOJTZWYNFVFB-UHFFFAOYSA-N
MW498.67 g/mol
LogP5.72
Rot. Bonds5

About 4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 134329518) has the molecular formula C31H38N4O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID134329518
Molecular FormulaC31H38N4O2
Molecular Weight498.67 g/mol
Exact Mass498.30
IUPAC Name4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)C5CC(=O)N(C)C5)CC4)cc3c2C(C)C)cc(C2CC2)n1
InChIInChI=1S/C31H38N4O2/c1-18(2)29-25-14-22(20-9-11-35(12-10-20)31(37)24-16-28(36)34(4)17-24)7-8-26(25)33-30(29)23-13-19(3)32-27(15-23)21-5-6-21/h7-8,13-15,18,20-21,24,33H,5-6,9-12,16-17H2,1-4H3
InChIKeyIBYOJTZWYNFVFB-UHFFFAOYSA-N
XLogP5.72
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 134329518) is 4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)C5CC(=O)N(C)C5)CC4)cc3c2C(C)C)cc(C2CC2)n1.
What is the InChIKey of 4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is IBYOJTZWYNFVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O2/c1-18(2)29-25-14-22(20-9-11-35(12-10-20)31(37)24-16-28(36)34(4)17-24)7-8-26(25)33-30(29)23-13-19(3)32-27(15-23)21-5-6-21/h7-8,13-15,18,20-21,24,33H,5-6,9-12,16-17H2,1-4H3.
What are the key properties of 4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 498.67 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-cyclopropyl-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 134329518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).