(3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide

C21H30N4O3 — CID 95558492

IUPAC(3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide
SMILESCOc1nc2c(cc1CNC(=O)[C@H]1CCCN(C)C1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C21H30N4O3/c1-24-9-5-6-14(12-24)19(26)22-11-15-10-17-18(23-20(15)28-2)13-25(21(17)27)16-7-3-4-8-16/h10,14,16H,3-9,11-13H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyJBHDTRVPMZOXQS-AWEZNQCLSA-N
MW386.50 g/mol
LogP1.95
Rot. Bonds5

About (3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide

(3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide (PubChem CID 95558492) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is (3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide
PubChem CID95558492
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name(3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide
SMILESCOc1nc2c(cc1CNC(=O)[C@H]1CCCN(C)C1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C21H30N4O3/c1-24-9-5-6-14(12-24)19(26)22-11-15-10-17-18(23-20(15)28-2)13-25(21(17)27)16-7-3-4-8-16/h10,14,16H,3-9,11-13H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyJBHDTRVPMZOXQS-AWEZNQCLSA-N
XLogP1.95
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpyrrolidine-3-carboxamide
CID 56876240
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-2-carboxamide
CID 56861160
(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56862252
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methylsulfanylacetamide
CID 56879711
(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 95426902
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxybutanamide
CID 95557604
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,3-dimethylbutanamide
CID 56862141
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methylbutanamide
CID 56863507
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pentanamide
CID 56862174
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide
CID 95553702
6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56865337
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-fluorobenzamide
CID 56875170

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide (CID 95558492) is (3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide is COc1nc2c(cc1CNC(=O)[C@H]1CCCN(C)C1)C(=O)N(C1CCCC1)C2.
What is the InChIKey of (3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is JBHDTRVPMZOXQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-24-9-5-6-14(12-24)19(26)22-11-15-10-17-18(23-20(15)28-2)13-25(21(17)27)16-7-3-4-8-16/h10,14,16H,3-9,11-13H2,1-2H3,(H,22,26)/t14-/m0/s1.
What are the key properties of (3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide?
(3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95558492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).