[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

C22H20N6O2 — CID 92614421

IUPAC[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESCOc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2ccc(-n3cccn3)nc2)cc1
InChIInChI=1S/C22H20N6O2/c1-30-17-6-3-15(4-7-17)21-20-18(24-14-25-20)9-12-27(21)22(29)16-5-8-19(23-13-16)28-11-2-10-26-28/h2-8,10-11,13-14,21H,9,12H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeySLFMKHJWJXKCQU-OAQYLSRUSA-N
MW400.44 g/mol
LogP2.79
Rot. Bonds4

About [(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 92614421) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is [(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
PubChem CID92614421
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESCOc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2ccc(-n3cccn3)nc2)cc1
InChIInChI=1S/C22H20N6O2/c1-30-17-6-3-15(4-7-17)21-20-18(24-14-25-20)9-12-27(21)22(29)16-5-8-19(23-13-16)28-11-2-10-26-28/h2-8,10-11,13-14,21H,9,12H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeySLFMKHJWJXKCQU-OAQYLSRUSA-N
XLogP2.79
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone with MolForge

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Related Compounds

4-[[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51974744
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 46979992
(2-cyclopropylquinolin-4-yl)-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92614361
[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 46978828
1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone
CID 92614221
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 163308528
(2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551394
methyl 2-[[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 42648805
(6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92614339
2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92607565
(2S)-2-(3-fluorophenoxy)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551386
(2R)-2-(2-fluorophenoxy)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551387

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of [(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (CID 92614421) is [(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2ccc(-n3cccn3)nc2)cc1.
What is the InChIKey of [(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The InChIKey is SLFMKHJWJXKCQU-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-30-17-6-3-15(4-7-17)21-20-18(24-14-25-20)9-12-27(21)22(29)16-5-8-19(23-13-16)28-11-2-10-26-28/h2-8,10-11,13-14,21H,9,12H2,1H3,(H,24,25)/t21-/m1/s1.
What are the key properties of [(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 400.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 92614421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).