6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C19H23N5O2 — CID 56862358

IUPAC6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1CNc1nccc(C)n1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C19H23N5O2/c1-12-7-8-20-19(22-12)21-10-13-9-15-16(23-17(13)26-2)11-24(18(15)25)14-5-3-4-6-14/h7-9,14H,3-6,10-11H2,1-2H3,(H,20,21,22)
InChIKeyQFEVELXQVLYELV-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.70
Rot. Bonds5

About 6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 56862358) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID56862358
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1CNc1nccc(C)n1)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C19H23N5O2/c1-12-7-8-20-19(22-12)21-10-13-9-15-16(23-17(13)26-2)11-24(18(15)25)14-5-3-4-6-14/h7-9,14H,3-6,10-11H2,1-2H3,(H,20,21,22)
InChIKeyQFEVELXQVLYELV-UHFFFAOYSA-N
XLogP2.70
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 56862358) is 6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is COc1nc2c(cc1CNc1nccc(C)n1)C(=O)N(C1CCCC1)C2.
What is the InChIKey of 6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is QFEVELXQVLYELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-7-8-20-19(22-12)21-10-13-9-15-16(23-17(13)26-2)11-24(18(15)25)14-5-3-4-6-14/h7-9,14H,3-6,10-11H2,1-2H3,(H,20,21,22).
What are the key properties of 6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 353.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 56862358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).