methyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate

C23H22N4O3 — CID 47038378

IUPACmethyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1C
InChIInChI=1S/C23H22N4O3/c1-13-6-5-11-27-12-18(26-21(13)27)16-7-9-17(10-8-16)25-22(28)20-14(2)19(15(3)24-20)23(29)30-4/h5-12,24H,1-4H3,(H,25,28)
InChIKeyQTBIRTLXKFSJLB-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.29
Rot. Bonds4

About methyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate

methyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 47038378) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is methyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID47038378
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Namemethyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1C
InChIInChI=1S/C23H22N4O3/c1-13-6-5-11-27-12-18(26-21(13)27)16-7-9-17(10-8-16)25-22(28)20-14(2)19(15(3)24-20)23(29)30-4/h5-12,24H,1-4H3,(H,25,28)
InChIKeyQTBIRTLXKFSJLB-UHFFFAOYSA-N
XLogP4.29
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[2-methyl-5-[[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylicacid,methylester
CID 68796885
Imidazo[1,2-a]pyridine-6-carboxylic acid, 2-(3-aminophenyl)-, methyl ester
CID 3845864
Methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 10739343
methyl 5-[[5-(1H-indole-5-carbonylamino)-2-methylphenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76900625
methyl 5-[[2-methyl-5-[(5-methylpyridine-3-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903275
methyl 5-[[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903460
methyl 2-[(7-benzyl-3-cyclopropyl-2,6-dioxopurin-8-yl)methyl]-3H-benzimidazole-5-carboxylate
CID 122519694
Methyl 4-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoate
CID 162658380
N-[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-yl)-6-[2-(methylamino)propanoylamino]-2-pyridinyl]-1,3-dihydrofuro[3,4-c]pyridine-6-carboxamide
CID 117903123
methyl 4-({[1-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]carbonyl}amino)benzenecarboxylate
CID 1472422
Ethyl 4-[[2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetyl]amino]benzoate
CID 16022221
methyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 17408129

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate (CID 47038378) is methyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1C.
What is the InChIKey of methyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is QTBIRTLXKFSJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-13-6-5-11-27-12-18(26-21(13)27)16-7-9-17(10-8-16)25-22(28)20-14(2)19(15(3)24-20)23(29)30-4/h5-12,24H,1-4H3,(H,25,28).
What are the key properties of methyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate?
methyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-5-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 47038378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).