2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C17H22N6O — CID 23585248

IUPAC2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCN1CCC(n2c(-c3ccnc(N)n3)cc3c2CCNC3=O)CC1
InChIInChI=1S/C17H22N6O/c1-22-8-4-11(5-9-22)23-14-3-7-19-16(24)12(14)10-15(23)13-2-6-20-17(18)21-13/h2,6,10-11H,3-5,7-9H2,1H3,(H,19,24)(H2,18,20,21)
InChIKeyLXMODSYKNNXEKG-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.08
Rot. Bonds2

About 2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 23585248) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID23585248
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCN1CCC(n2c(-c3ccnc(N)n3)cc3c2CCNC3=O)CC1
InChIInChI=1S/C17H22N6O/c1-22-8-4-11(5-9-22)23-14-3-7-19-16(24)12(14)10-15(23)13-2-6-20-17(18)21-13/h2,6,10-11H,3-5,7-9H2,1H3,(H,19,24)(H2,18,20,21)
InChIKeyLXMODSYKNNXEKG-UHFFFAOYSA-N
XLogP1.08
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 23585248) is 2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is CN1CCC(n2c(-c3ccnc(N)n3)cc3c2CCNC3=O)CC1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is LXMODSYKNNXEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-22-8-4-11(5-9-22)23-14-3-7-19-16(24)12(14)10-15(23)13-2-6-20-17(18)21-13/h2,6,10-11H,3-5,7-9H2,1H3,(H,19,24)(H2,18,20,21).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 326.40 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-1-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23585248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).