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

C17H14FN5O — CID 152852397

IUPAC1-[2-(4-fluoroanilino)pyrimidin-5-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1ccn2-c1cnc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C17H14FN5O/c18-11-1-3-12(4-2-11)22-17-20-9-13(10-21-17)23-8-6-14-15(23)5-7-19-16(14)24/h1-4,6,8-10H,5,7H2,(H,19,24)(H,20,21,22)
InChIKeyTVQBLQCWHUCICD-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.44
Rot. Bonds3

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

1-[2-(4-fluoroanilino)pyrimidin-5-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 152852397) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 1-[2-(4-fluoroanilino)pyrimidin-5-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(4-fluoroanilino)pyrimidin-5-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID152852397
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name1-[2-(4-fluoroanilino)pyrimidin-5-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1ccn2-c1cnc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C17H14FN5O/c18-11-1-3-12(4-2-11)22-17-20-9-13(10-21-17)23-8-6-14-15(23)5-7-19-16(14)24/h1-4,6,8-10H,5,7H2,(H,19,24)(H,20,21,22)
InChIKeyTVQBLQCWHUCICD-UHFFFAOYSA-N
XLogP2.44
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-fluoroanilino)pyrimidin-5-yl]-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 1-[2-(4-fluoroanilino)pyrimidin-5-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-[2-(4-fluoroanilino)pyrimidin-5-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 152852397) is 1-[2-(4-fluoroanilino)pyrimidin-5-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-[2-(4-fluoroanilino)pyrimidin-5-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-[2-(4-fluoroanilino)pyrimidin-5-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2c1ccn2-c1cnc(Nc2ccc(F)cc2)nc1.
What is the InChIKey of 1-[2-(4-fluoroanilino)pyrimidin-5-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is TVQBLQCWHUCICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c18-11-1-3-12(4-2-11)22-17-20-9-13(10-21-17)23-8-6-14-15(23)5-7-19-16(14)24/h1-4,6,8-10H,5,7H2,(H,19,24)(H,20,21,22).
What are the key properties of 1-[2-(4-fluoroanilino)pyrimidin-5-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1-[2-(4-fluoroanilino)pyrimidin-5-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 323.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoroanilino)pyrimidin-5-yl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 152852397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).