1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one

C23H24N6O — CID 54585153

IUPAC1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)n([C@H]2CCCN(c3nccc(-c4ccccc4)n3)C2)c2ncccc21
InChIInChI=1S/C23H24N6O/c1-2-28-20-11-6-13-24-21(20)29(23(28)30)18-10-7-15-27(16-18)22-25-14-12-19(26-22)17-8-4-3-5-9-17/h3-6,8-9,11-14,18H,2,7,10,15-16H2,1H3/t18-/m0/s1
InChIKeyMMRUYXUSPJFWKJ-SFHVURJKSA-N
MW400.49 g/mol
LogP3.52
Rot. Bonds4

About 1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one

1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one (PubChem CID 54585153) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one
PubChem CID54585153
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)n([C@H]2CCCN(c3nccc(-c4ccccc4)n3)C2)c2ncccc21
InChIInChI=1S/C23H24N6O/c1-2-28-20-11-6-13-24-21(20)29(23(28)30)18-10-7-15-27(16-18)22-25-14-12-19(26-22)17-8-4-3-5-9-17/h3-6,8-9,11-14,18H,2,7,10,15-16H2,1H3/t18-/m0/s1
InChIKeyMMRUYXUSPJFWKJ-SFHVURJKSA-N
XLogP3.52
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one (CID 54585153) is 1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one is CCn1c(=O)n([C@H]2CCCN(c3nccc(-c4ccccc4)n3)C2)c2ncccc21.
What is the InChIKey of 1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is MMRUYXUSPJFWKJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N6O/c1-2-28-20-11-6-13-24-21(20)29(23(28)30)18-10-7-15-27(16-18)22-25-14-12-19(26-22)17-8-4-3-5-9-17/h3-6,8-9,11-14,18H,2,7,10,15-16H2,1H3/t18-/m0/s1.
What are the key properties of 1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one?
1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 400.49 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3S)-1-(4-phenylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 54585153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).