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

C19H24N4O4 — CID 56862252

IUPAC(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1nc2c(cc1CNC(=O)[C@@H]1CCC(=O)N1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C19H24N4O4/c1-27-18-11(9-20-17(25)14-6-7-16(24)21-14)8-13-15(22-18)10-23(19(13)26)12-4-2-3-5-12/h8,12,14H,2-7,9-10H2,1H3,(H,20,25)(H,21,24)/t14-/m0/s1
InChIKeyUISZWKALGISVPQ-AWEZNQCLSA-N
MW372.43 g/mol
LogP0.88
Rot. Bonds5

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

(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 56862252) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is (2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID56862252
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1nc2c(cc1CNC(=O)[C@@H]1CCC(=O)N1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C19H24N4O4/c1-27-18-11(9-20-17(25)14-6-7-16(24)21-14)8-13-15(22-18)10-23(19(13)26)12-4-2-3-5-12/h8,12,14H,2-7,9-10H2,1H3,(H,20,25)(H,21,24)/t14-/m0/s1
InChIKeyUISZWKALGISVPQ-AWEZNQCLSA-N
XLogP0.88
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 56862252) is (2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide is COc1nc2c(cc1CNC(=O)[C@@H]1CCC(=O)N1)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]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UISZWKALGISVPQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-27-18-11(9-20-17(25)14-6-7-16(24)21-14)8-13-15(22-18)10-23(19(13)26)12-4-2-3-5-12/h8,12,14H,2-7,9-10H2,1H3,(H,20,25)(H,21,24)/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]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 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]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 56862252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).