(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone

C22H18N6O — CID 165418989

IUPAC(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccn2)nc1)N1Cc2[nH]cnc2C(c2ccccc2)C1
InChIInChI=1S/C22H18N6O/c29-22(16-10-24-21(25-11-16)18-8-4-5-9-23-18)28-12-17(15-6-2-1-3-7-15)20-19(13-28)26-14-27-20/h1-11,14,17H,12-13H2,(H,26,27)
InChIKeyPEYHBKKMMLWSGG-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.05
Rot. Bonds3

About (7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone

(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone (PubChem CID 165418989) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is (7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone
PubChem CID165418989
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccn2)nc1)N1Cc2[nH]cnc2C(c2ccccc2)C1
InChIInChI=1S/C22H18N6O/c29-22(16-10-24-21(25-11-16)18-8-4-5-9-23-18)28-12-17(15-6-2-1-3-7-15)20-19(13-28)26-14-27-20/h1-11,14,17H,12-13H2,(H,26,27)
InChIKeyPEYHBKKMMLWSGG-UHFFFAOYSA-N
XLogP3.05
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-difluorophenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164699015
(3-methylsulfanylphenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164698728
(2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 165418782
(2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164694060
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 165417518
[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone
CID 164696373
2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 165428218
4,4,4-trifluoro-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
CID 164692889
3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 164688938
(3-chloro-4-pyridinyl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164697931
[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxy-4-pyridinyl)methanone
CID 164700123
3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 164692477

Frequently Asked Questions

What is the IUPAC name of (7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of (7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone (CID 165418989) is (7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for (7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for (7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone is O=C(c1cnc(-c2ccccn2)nc1)N1Cc2[nH]cnc2C(c2ccccc2)C1.
What is the InChIKey of (7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone?
The InChIKey is PEYHBKKMMLWSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c29-22(16-10-24-21(25-11-16)18-8-4-5-9-23-18)28-12-17(15-6-2-1-3-7-15)20-19(13-28)26-14-27-20/h1-11,14,17H,12-13H2,(H,26,27).
What are the key properties of (7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone?
(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone has a molecular weight of 382.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 165418989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).