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

C20H27N3O4 — CID 95550707

IUPAC(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methyloxolane-2-carboxamide
SMILESCOc1nc2c(cc1CNC(=O)[C@@]1(C)CCCO1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C20H27N3O4/c1-20(8-5-9-27-20)19(25)21-11-13-10-15-16(22-17(13)26-2)12-23(18(15)24)14-6-3-4-7-14/h10,14H,3-9,11-12H2,1-2H3,(H,21,25)/t20-/m1/s1
InChIKeyWODQYEFDRCNKHB-HXUWFJFHSA-N
MW373.45 g/mol
LogP2.17
Rot. Bonds5

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

(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methyloxolane-2-carboxamide (PubChem CID 95550707) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methyloxolane-2-carboxamide
PubChem CID95550707
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methyloxolane-2-carboxamide
SMILESCOc1nc2c(cc1CNC(=O)[C@@]1(C)CCCO1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C20H27N3O4/c1-20(8-5-9-27-20)19(25)21-11-13-10-15-16(22-17(13)26-2)12-23(18(15)24)14-6-3-4-7-14/h10,14H,3-9,11-12H2,1-2H3,(H,21,25)/t20-/m1/s1
InChIKeyWODQYEFDRCNKHB-HXUWFJFHSA-N
XLogP2.17
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methyloxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methyloxolane-2-carboxamide (CID 95550707) is (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methyloxolane-2-carboxamide is COc1nc2c(cc1CNC(=O)[C@@]1(C)CCCO1)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-methyloxolane-2-carboxamide?
The InChIKey is WODQYEFDRCNKHB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-20(8-5-9-27-20)19(25)21-11-13-10-15-16(22-17(13)26-2)12-23(18(15)24)14-6-3-4-7-14/h10,14H,3-9,11-12H2,1-2H3,(H,21,25)/t20-/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-methyloxolane-2-carboxamide?
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methyloxolane-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 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-methyloxolane-2-carboxamide is sourced from PubChem (CID 95550707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).