6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C19H23N7O4 — CID 157013025

IUPAC6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1C(=O)N1CCOC(c3nn[nH]n3)C1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C19H23N7O4/c1-29-17-13(18(27)25-6-7-30-15(10-25)16-21-23-24-22-16)8-12-14(20-17)9-26(19(12)28)11-4-2-3-5-11/h8,11,15H,2-7,9-10H2,1H3,(H,21,22,23,24)
InChIKeyNSGUEIQUSKEGKH-UHFFFAOYSA-N
MW413.44 g/mol
LogP0.72
Rot. Bonds4

About 6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 157013025) has the molecular formula C19H23N7O4 and a molecular weight of 413.44 g/mol. Its IUPAC name is 6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID157013025
Molecular FormulaC19H23N7O4
Molecular Weight413.44 g/mol
Exact Mass413.18
IUPAC Name6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1C(=O)N1CCOC(c3nn[nH]n3)C1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C19H23N7O4/c1-29-17-13(18(27)25-6-7-30-15(10-25)16-21-23-24-22-16)8-12-14(20-17)9-26(19(12)28)11-4-2-3-5-11/h8,11,15H,2-7,9-10H2,1H3,(H,21,22,23,24)
InChIKeyNSGUEIQUSKEGKH-UHFFFAOYSA-N
XLogP0.72
TPSA126.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
CID 155497460
6-cyclopentyl-3-[(1R,2R,4S)-2-ethyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptane-7-carbonyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one
CID 146041092
6-cyclopentyl-2-methoxy-5-oxo-N-[2-(triazol-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridine-3-carboxamide
CID 118783170
N-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxamide
CID 119072027
[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 157012718
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-fluorobenzamide
CID 56875170
(3S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-3-carboxamide
CID 95558492
pyrazolo[1,5-a]pyridin-5-yl-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 165418573
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methyloxolane-2-carboxamide
CID 95550707
(2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 166244194
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide
CID 95502545
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide
CID 95553702

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 157013025) is 6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one is COc1nc2c(cc1C(=O)N1CCOC(c3nn[nH]n3)C1)C(=O)N(C1CCCC1)C2.
What is the InChIKey of 6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is NSGUEIQUSKEGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O4/c1-29-17-13(18(27)25-6-7-30-15(10-25)16-21-23-24-22-16)8-12-14(20-17)9-26(19(12)28)11-4-2-3-5-11/h8,11,15H,2-7,9-10H2,1H3,(H,21,22,23,24).
What are the key properties of 6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 413.44 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 157013025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).