methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate

C28H26N4O3 — CID 70110887

IUPACmethyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(C(C)C)c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c12
InChIInChI=1S/C28H26N4O3/c1-16(2)26-25(24-20(28(34)35-4)6-5-7-21(24)31-26)27(33)19-10-8-18(9-11-19)15-32-17(3)30-22-14-29-13-12-23(22)32/h5-14,16,31H,15H2,1-4H3
InChIKeyCAZJJANKVRJZKL-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.41
Rot. Bonds6

About methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate

methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate (PubChem CID 70110887) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate
PubChem CID70110887
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Namemethyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(C(C)C)c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c12
InChIInChI=1S/C28H26N4O3/c1-16(2)26-25(24-20(28(34)35-4)6-5-7-21(24)31-26)27(33)19-10-8-18(9-11-19)15-32-17(3)30-22-14-29-13-12-23(22)32/h5-14,16,31H,15H2,1-4H3
InChIKeyCAZJJANKVRJZKL-UHFFFAOYSA-N
XLogP5.41
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate with MolForge

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Related Compounds

methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate
CID 18993191
4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide
CID 70112343
4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
CID 18993137
6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide
CID 67761828
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
phenyl 6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxylate
CID 70110581
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
(2S)-N-[(4-aminophenyl)methyl]-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylamino]pentanamide
CID 10907446
benzyl (2S)-4-methyl-2-[methyl-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylamino]pentanoate
CID 18650939
N-[(2S)-1-methoxy-3-methylpentan-2-yl]-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
CID 67626291
1-ethyl-2-methylimidazo[4,5-c]pyridine
CID 147300637
1-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-2-amine
CID 79296071

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate?
The IUPAC name of methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate (CID 70110887) is methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate.
What is the SMILES notation for methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate?
The canonical SMILES for methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate is COC(=O)c1cccc2[nH]c(C(C)C)c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c12.
What is the InChIKey of methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate?
The InChIKey is CAZJJANKVRJZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-16(2)26-25(24-20(28(34)35-4)6-5-7-21(24)31-26)27(33)19-10-8-18(9-11-19)15-32-17(3)30-22-14-29-13-12-23(22)32/h5-14,16,31H,15H2,1-4H3.
What are the key properties of methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate?
methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate has a molecular weight of 466.54 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate is sourced from PubChem (CID 70110887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).