2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride

C27H25BrCl3N5O4 — CID 18923731

IUPAC2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride
SMILESCC(=O)c1cccc(NC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)c1.Cl
InChIInChI=1S/C27H24BrCl2N5O4.ClH/c1-15-25(28)35-11-5-8-22(26(35)32-15)39-14-19-20(29)9-10-21(24(19)30)34(3)23(37)13-31-27(38)33-18-7-4-6-17(12-18)16(2)36;/h4-12H,13-14H2,1-3H3,(H2,31,33,38);1H
InChIKeyLHGOSZJQGYTHPN-UHFFFAOYSA-N
MW669.79 g/mol
LogP6.70
Rot. Bonds8

About 2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride

2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride (PubChem CID 18923731) has the molecular formula C27H25BrCl3N5O4 and a molecular weight of 669.79 g/mol. Its IUPAC name is 2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride
PubChem CID18923731
Molecular FormulaC27H25BrCl3N5O4
Molecular Weight669.79 g/mol
Exact Mass667.02
IUPAC Name2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride
SMILESCC(=O)c1cccc(NC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)c1.Cl
InChIInChI=1S/C27H24BrCl2N5O4.ClH/c1-15-25(28)35-11-5-8-22(26(35)32-15)39-14-19-20(29)9-10-21(24(19)30)34(3)23(37)13-31-27(38)33-18-7-4-6-17(12-18)16(2)36;/h4-12H,13-14H2,1-3H3,(H2,31,33,38);1H
InChIKeyLHGOSZJQGYTHPN-UHFFFAOYSA-N
XLogP6.70
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.79
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

FR191413
CID 10394861
FR167344
CID 9810391
4-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide;hydrochloride
CID 9810390
4-{(E)-2-[({[2,4-Dichloro-3-(2-methoxy-1-methyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N,N-dimethyl-benzamide
CID 10627732
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichloro-3-(2-methoxy-1-methyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide
CID 10675243
4-{(E)-2-[({[2,4-Dichloro-3-(2-methoxy-1-methyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
CID 10722424
{4-[3-({2-[(E)-3-(6-Acetylamino-pyridin-3-yl)-acryloylamino]-acetyl}-methyl-amino)-2,6-dichloro-benzyloxy]-2-methoxy-benzoimidazol-1-yl}-acetic acid ethyl ester
CID 11422541
(E)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride
CID 18923341
4-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride
CID 18923352
(E)-3-(6-acetamido-3-pyridinyl)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]prop-2-enamide;dihydrochloride
CID 18923431
(E)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-[4-(methylcarbamoylamino)phenyl]prop-2-enamide;hydrochloride
CID 18923465
5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 18923711

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride (CID 18923731) is 2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride is CC(=O)c1cccc(NC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)c1.Cl.
What is the InChIKey of 2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride?
The InChIKey is LHGOSZJQGYTHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BrCl2N5O4.ClH/c1-15-25(28)35-11-5-8-22(26(35)32-15)39-14-19-20(29)9-10-21(24(19)30)34(3)23(37)13-31-27(38)33-18-7-4-6-17(12-18)16(2)36;/h4-12H,13-14H2,1-3H3,(H2,31,33,38);1H.
What are the key properties of 2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride?
2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride has a molecular weight of 669.79 g/mol, XLogP of 6.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 18923731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).