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

C13H14FN5O — CID 23585198

IUPAC2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c(n2CCF)CCNC3=O)n1
InChIInChI=1S/C13H14FN5O/c14-3-6-19-10-2-5-16-12(20)8(10)7-11(19)9-1-4-17-13(15)18-9/h1,4,7H,2-3,5-6H2,(H,16,20)(H2,15,17,18)
InChIKeyAOWKJWLAHRQUIW-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.78
Rot. Bonds3

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

2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 23585198) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID23585198
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c(n2CCF)CCNC3=O)n1
InChIInChI=1S/C13H14FN5O/c14-3-6-19-10-2-5-16-12(20)8(10)7-11(19)9-1-4-17-13(15)18-9/h1,4,7H,2-3,5-6H2,(H,16,20)(H2,15,17,18)
InChIKeyAOWKJWLAHRQUIW-UHFFFAOYSA-N
XLogP0.78
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 23585198) is 2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Nc1nccc(-c2cc3c(n2CCF)CCNC3=O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is AOWKJWLAHRQUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O/c14-3-6-19-10-2-5-16-12(20)8(10)7-11(19)9-1-4-17-13(15)18-9/h1,4,7H,2-3,5-6H2,(H,16,20)(H2,15,17,18).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 275.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23585198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).