(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide

C19H27N3O4 — CID 95553702

IUPAC(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide
SMILESCOc1nc2c(cc1CNC(=O)[C@H](O)C(C)C)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C19H27N3O4/c1-11(2)16(23)17(24)20-9-12-8-14-15(21-18(12)26-3)10-22(19(14)25)13-6-4-5-7-13/h8,11,13,16,23H,4-7,9-10H2,1-3H3,(H,20,24)/t16-/m1/s1
InChIKeyDSDXSCDALHPZTI-MRXNPFEDSA-N
MW361.44 g/mol
LogP1.62
Rot. Bonds6

About (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide

(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide (PubChem CID 95553702) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide
PubChem CID95553702
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide
SMILESCOc1nc2c(cc1CNC(=O)[C@H](O)C(C)C)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C19H27N3O4/c1-11(2)16(23)17(24)20-9-12-8-14-15(21-18(12)26-3)10-22(19(14)25)13-6-4-5-7-13/h8,11,13,16,23H,4-7,9-10H2,1-3H3,(H,20,24)/t16-/m1/s1
InChIKeyDSDXSCDALHPZTI-MRXNPFEDSA-N
XLogP1.62
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide 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-hydroxybutanamide
CID 95557604
(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 95426902
(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]-3,3-dimethylbutanamide
CID 56862141
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
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]-4-fluorobenzamide
CID 56875170
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpyrrolidine-3-carboxamide
CID 56876240

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide (CID 95553702) is (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide is COc1nc2c(cc1CNC(=O)[C@H](O)C(C)C)C(=O)N(C1CCCC1)C2.
What is the InChIKey of (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide?
The InChIKey is DSDXSCDALHPZTI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-11(2)16(23)17(24)20-9-12-8-14-15(21-18(12)26-3)10-22(19(14)25)13-6-4-5-7-13/h8,11,13,16,23H,4-7,9-10H2,1-3H3,(H,20,24)/t16-/m1/s1.
What are the key properties of (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide?
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide has a molecular weight of 361.44 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide is sourced from PubChem (CID 95553702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).