[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone

C26H19N7O2 — CID 177297634

IUPAC[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESO=C(c1cnn2cc(-c3ccncn3)ccc12)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1
InChIInChI=1S/C26H19N7O2/c34-26(18-12-31-33-13-17(5-6-21(18)33)19-7-9-27-14-28-19)32-10-8-20-24(30-15-29-20)25(32)23-11-16-3-1-2-4-22(16)35-23/h1-7,9,11-15,25H,8,10H2,(H,29,30)/t25-/m1/s1
InChIKeyWTDSKWOHTAJEHW-RUZDIDTESA-N
MW461.49 g/mol
LogP4.05
Rot. Bonds3

About [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone

[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 177297634) has the molecular formula C26H19N7O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID177297634
Molecular FormulaC26H19N7O2
Molecular Weight461.49 g/mol
Exact Mass461.16
IUPAC Name[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESO=C(c1cnn2cc(-c3ccncn3)ccc12)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1
InChIInChI=1S/C26H19N7O2/c34-26(18-12-31-33-13-17(5-6-21(18)33)19-7-9-27-14-28-19)32-10-8-20-24(30-15-29-20)25(32)23-11-16-3-1-2-4-22(16)35-23/h1-7,9,11-15,25H,8,10H2,(H,29,30)/t25-/m1/s1
InChIKeyWTDSKWOHTAJEHW-RUZDIDTESA-N
XLogP4.05
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 169165475
[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 177297673
[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170332289
[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170332297
[(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 177297367
azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 177297484
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169164258
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-chloro-1,3-thiazol-2-yl)methanone
CID 169164306
[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863234
1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,4-dimethylpentan-1-one
CID 169164212
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-oxazol-5-yl]methanone
CID 169164383
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(3-chloro-1-methylpyrazol-5-yl)methanone
CID 177297654

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone (CID 177297634) is [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone is O=C(c1cnn2cc(-c3ccncn3)ccc12)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1.
What is the InChIKey of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is WTDSKWOHTAJEHW-RUZDIDTESA-N. The full InChI is InChI=1S/C26H19N7O2/c34-26(18-12-31-33-13-17(5-6-21(18)33)19-7-9-27-14-28-19)32-10-8-20-24(30-15-29-20)25(32)23-11-16-3-1-2-4-22(16)35-23/h1-7,9,11-15,25H,8,10H2,(H,29,30)/t25-/m1/s1.
What are the key properties of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone?
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 461.49 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 177297634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).