3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one

C23H24FN7O — CID 46863666

IUPAC3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)n([C@H]2CCCN(c3cc(-c4ccc(F)cc4)nc(N)n3)C2)c2ncccc21
InChIInChI=1S/C23H24FN7O/c1-2-30-19-6-3-11-26-21(19)31(23(30)32)17-5-4-12-29(14-17)20-13-18(27-22(25)28-20)15-7-9-16(24)10-8-15/h3,6-11,13,17H,2,4-5,12,14H2,1H3,(H2,25,27,28)/t17-/m0/s1
InChIKeyGOAHJOYNOINZBH-KRWDZBQOSA-N
MW433.49 g/mol
LogP3.24
Rot. Bonds4

About 3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one

3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one (PubChem CID 46863666) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one
PubChem CID46863666
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)n([C@H]2CCCN(c3cc(-c4ccc(F)cc4)nc(N)n3)C2)c2ncccc21
InChIInChI=1S/C23H24FN7O/c1-2-30-19-6-3-11-26-21(19)31(23(30)32)17-5-4-12-29(14-17)20-13-18(27-22(25)28-20)15-7-9-16(24)10-8-15/h3,6-11,13,17H,2,4-5,12,14H2,1H3,(H2,25,27,28)/t17-/m0/s1
InChIKeyGOAHJOYNOINZBH-KRWDZBQOSA-N
XLogP3.24
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one (CID 46863666) is 3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one is CCn1c(=O)n([C@H]2CCCN(c3cc(-c4ccc(F)cc4)nc(N)n3)C2)c2ncccc21.
What is the InChIKey of 3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one?
The InChIKey is GOAHJOYNOINZBH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-2-30-19-6-3-11-26-21(19)31(23(30)32)17-5-4-12-29(14-17)20-13-18(27-22(25)28-20)15-7-9-16(24)10-8-15/h3,6-11,13,17H,2,4-5,12,14H2,1H3,(H2,25,27,28)/t17-/m0/s1.
What are the key properties of 3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one?
3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one has a molecular weight of 433.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[2-amino-6-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-1-ethylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 46863666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).