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

C21H27N5O2 — CID 56879484

IUPAC6-cyclopentyl-3-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCc1cc(NCc2cc3c(nc2OC)CN(C2CCCC2)C3=O)nc(C)n1
InChIInChI=1S/C21H27N5O2/c1-4-15-10-19(24-13(2)23-15)22-11-14-9-17-18(25-20(14)28-3)12-26(21(17)27)16-7-5-6-8-16/h9-10,16H,4-8,11-12H2,1-3H3,(H,22,23,24)
InChIKeyOMEDNJCPKIUDDW-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.26
Rot. Bonds6

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

6-cyclopentyl-3-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 56879484) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-cyclopentyl-3-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-cyclopentyl-3-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID56879484
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name6-cyclopentyl-3-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCc1cc(NCc2cc3c(nc2OC)CN(C2CCCC2)C3=O)nc(C)n1
InChIInChI=1S/C21H27N5O2/c1-4-15-10-19(24-13(2)23-15)22-11-14-9-17-18(25-20(14)28-3)12-26(21(17)27)16-7-5-6-8-16/h9-10,16H,4-8,11-12H2,1-3H3,(H,22,23,24)
InChIKeyOMEDNJCPKIUDDW-UHFFFAOYSA-N
XLogP3.26
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56865337
6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56862358
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
6-cyclopentyl-3-[[[(2R)-1-(dimethylamino)propan-2-yl]amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95477031
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]-2-methylsulfanylacetamide
CID 56879711
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pentanamide
CID 56862174
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide
CID 95553702
(2S)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 95426902
(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]-2-phenoxyacetamide
CID 56865762

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-3-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-cyclopentyl-3-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one (CID 56879484) is 6-cyclopentyl-3-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-cyclopentyl-3-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-cyclopentyl-3-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one is CCc1cc(NCc2cc3c(nc2OC)CN(C2CCCC2)C3=O)nc(C)n1.
What is the InChIKey of 6-cyclopentyl-3-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is OMEDNJCPKIUDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-4-15-10-19(24-13(2)23-15)22-11-14-9-17-18(25-20(14)28-3)12-26(21(17)27)16-7-5-6-8-16/h9-10,16H,4-8,11-12H2,1-3H3,(H,22,23,24).
What are the key properties of 6-cyclopentyl-3-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one?
6-cyclopentyl-3-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 381.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-3-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 56879484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).