[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C24H25N3O4 — CID 92595424

IUPAC[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@H]2COc3c(cccc3OC)C2)cc1
InChIInChI=1S/C24H25N3O4/c1-29-18-8-6-15(7-9-18)22-21-19(25-14-26-21)10-11-27(22)24(28)17-12-16-4-3-5-20(30-2)23(16)31-13-17/h3-9,14,17,22H,10-13H2,1-2H3,(H,25,26)/t17-,22-/m1/s1
InChIKeyCISXSQPTQPKMJL-VGOFRKELSA-N
MW419.48 g/mol
LogP3.15
Rot. Bonds4

About [(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 92595424) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is [(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID92595424
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@H]2COc3c(cccc3OC)C2)cc1
InChIInChI=1S/C24H25N3O4/c1-29-18-8-6-15(7-9-18)22-21-19(25-14-26-21)10-11-27(22)24(28)17-12-16-4-3-5-20(30-2)23(16)31-13-17/h3-9,14,17,22H,10-13H2,1-2H3,(H,25,26)/t17-,22-/m1/s1
InChIKeyCISXSQPTQPKMJL-VGOFRKELSA-N
XLogP3.15
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(3S)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136804297
(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
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92594770
[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-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92607565
1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone
CID 92614221
4-[[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51974744
methyl 2-[[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 42648805
[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 92614421
(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
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
2-(3H-benzimidazol-5-yl)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92612204

Frequently Asked Questions

What is the IUPAC name of [(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 92595424) is [(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@H]2COc3c(cccc3OC)C2)cc1.
What is the InChIKey of [(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is CISXSQPTQPKMJL-VGOFRKELSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-29-18-8-6-15(7-9-18)22-21-19(25-14-26-21)10-11-27(22)24(28)17-12-16-4-3-5-20(30-2)23(16)31-13-17/h3-9,14,17,22H,10-13H2,1-2H3,(H,25,26)/t17-,22-/m1/s1.
What are the key properties of [(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 419.48 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 92595424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).