1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone

C25H19N5O — CID 171069063

IUPAC1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C25H19N5O/c1-16(31)17-9-11-19(12-10-17)30-24(20-8-5-15-27-23(20)26)29-22-14-13-21(28-25(22)30)18-6-3-2-4-7-18/h2-15H,1H3,(H2,26,27)
InChIKeyBTPYRLHWMMIATQ-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.93
Rot. Bonds4

About 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone

1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone (PubChem CID 171069063) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone
PubChem CID171069063
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC Name1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C25H19N5O/c1-16(31)17-9-11-19(12-10-17)30-24(20-8-5-15-27-23(20)26)29-22-14-13-21(28-25(22)30)18-6-3-2-4-7-18/h2-15H,1H3,(H2,26,27)
InChIKeyBTPYRLHWMMIATQ-UHFFFAOYSA-N
XLogP4.93
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-N-methoxybenzamide
CID 171069098
ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068731
N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide
CID 58345295
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
ethane;3-[3-(4-ethylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171102945
2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol
CID 169175573
3-[3-[4-(chloromethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethene
CID 171103414
3-[5-(4-chlorophenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
CID 171494402
[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171493964
[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid
CID 67305048
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-[(Z)-N'-hydrazinylcarbamimidoyl]benzamide
CID 176947959
2-[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide
CID 58344924

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone (CID 171069063) is 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone is CC(=O)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1.
What is the InChIKey of 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone?
The InChIKey is BTPYRLHWMMIATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c1-16(31)17-9-11-19(12-10-17)30-24(20-8-5-15-27-23(20)26)29-22-14-13-21(28-25(22)30)18-6-3-2-4-7-18/h2-15H,1H3,(H2,26,27).
What are the key properties of 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone?
1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone has a molecular weight of 405.46 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone is sourced from PubChem (CID 171069063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).