(3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C22H20N4O2 — CID 70762419

IUPAC(3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCc4[nH]cnc4C3c3cccnc3)c(C)c2c1
InChIInChI=1S/C22H20N4O2/c1-13-5-6-18-16(10-13)14(2)21(28-18)22(27)26-9-7-17-19(25-12-24-17)20(26)15-4-3-8-23-11-15/h3-6,8,10-12,20H,7,9H2,1-2H3,(H,24,25)
InChIKeyMZBZQIUWZBTQSS-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.96
Rot. Bonds2

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

(3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 70762419) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID70762419
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name(3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCc4[nH]cnc4C3c3cccnc3)c(C)c2c1
InChIInChI=1S/C22H20N4O2/c1-13-5-6-18-16(10-13)14(2)21(28-18)22(27)26-9-7-17-19(25-12-24-17)20(26)15-4-3-8-23-11-15/h3-6,8,10-12,20H,7,9H2,1-2H3,(H,24,25)
InChIKeyMZBZQIUWZBTQSS-UHFFFAOYSA-N
XLogP3.96
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 131895282
(2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 50966520
2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 136573149
(3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 50961516
2-morpholin-4-yl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 138012291
(2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 138012296
methyl 2-[(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)amino]propanoate
CID 45370927
[(4S)-4-(5-fluoro-3-methyl-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 169164149
(4R)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 125173566
methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 51972042
[(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
CID 177297459
pyridin-3-yl 4-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 58417838

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 70762419) is (3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is Cc1ccc2oc(C(=O)N3CCc4[nH]cnc4C3c3cccnc3)c(C)c2c1.
What is the InChIKey of (3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is MZBZQIUWZBTQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-13-5-6-18-16(10-13)14(2)21(28-18)22(27)26-9-7-17-19(25-12-24-17)20(26)15-4-3-8-23-11-15/h3-6,8,10-12,20H,7,9H2,1-2H3,(H,24,25).
What are the key properties of (3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 372.43 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 70762419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).