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

C21H30N4O3 — CID 95426902

IUPAC(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide
SMILESCOc1nc2c(cc1CNC(=O)[C@H](C)N1CCCC1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C21H30N4O3/c1-14(24-9-5-6-10-24)19(26)22-12-15-11-17-18(23-20(15)28-2)13-25(21(17)27)16-7-3-4-8-16/h11,14,16H,3-10,12-13H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyDQXBKCIGACWCGP-AWEZNQCLSA-N
MW386.50 g/mol
LogP2.09
Rot. Bonds6

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

(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide (PubChem CID 95426902) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide
PubChem CID95426902
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide
SMILESCOc1nc2c(cc1CNC(=O)[C@H](C)N1CCCC1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C21H30N4O3/c1-14(24-9-5-6-10-24)19(26)22-12-15-11-17-18(23-20(15)28-2)13-25(21(17)27)16-7-3-4-8-16/h11,14,16H,3-10,12-13H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyDQXBKCIGACWCGP-AWEZNQCLSA-N
XLogP2.09
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methylbutanamide
CID 56863507
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide
CID 95553702
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxybutanamide
CID 95557604
(2S)-2-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methylpentanamide
CID 56880853
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]-2-methylsulfanylacetamide
CID 56879711
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-2-carboxamide
CID 56861160
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]-3,3-dimethylbutanamide
CID 56862141
(3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide
CID 95558492
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pentanamide
CID 56862174
(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56862252

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of (2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide (CID 95426902) is (2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for (2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide is COc1nc2c(cc1CNC(=O)[C@H](C)N1CCCC1)C(=O)N(C1CCCC1)C2.
What is the InChIKey of (2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The InChIKey is DQXBKCIGACWCGP-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-14(24-9-5-6-10-24)19(26)22-12-15-11-17-18(23-20(15)28-2)13-25(21(17)27)16-7-3-4-8-16/h11,14,16H,3-10,12-13H2,1-2H3,(H,22,26)/t14-/m0/s1.
What are the key properties of (2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide has a molecular weight of 386.50 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 95426902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).