N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide

C26H22BrCl2N5O4 — CID 10579723

IUPACN-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide
SMILESCc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)NC(=O)c4ccccc4)c3Cl)cccn2c1Br
InChIInChI=1S/C26H22BrCl2N5O4/c1-15-23(27)34-12-6-9-20(24(34)31-15)38-14-17-18(28)10-11-19(22(17)29)33(2)21(35)13-30-26(37)32-25(36)16-7-4-3-5-8-16/h3-12H,13-14H2,1-2H3,(H2,30,32,36,37)
InChIKeyVMABZFHKFQRNAY-UHFFFAOYSA-N
MW619.30 g/mol
LogP5.39
Rot. Bonds7

About N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide

N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide (PubChem CID 10579723) has the molecular formula C26H22BrCl2N5O4 and a molecular weight of 619.30 g/mol. Its IUPAC name is N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide
PubChem CID10579723
Molecular FormulaC26H22BrCl2N5O4
Molecular Weight619.30 g/mol
Exact Mass617.02
IUPAC NameN-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide
SMILESCc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)NC(=O)c4ccccc4)c3Cl)cccn2c1Br
InChIInChI=1S/C26H22BrCl2N5O4/c1-15-23(27)34-12-6-9-20(24(34)31-15)38-14-17-18(28)10-11-19(22(17)29)33(2)21(35)13-30-26(37)32-25(36)16-7-4-3-5-8-16/h3-12H,13-14H2,1-2H3,(H2,30,32,36,37)
InChIKeyVMABZFHKFQRNAY-UHFFFAOYSA-N
XLogP5.39
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.30
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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 N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide?
The IUPAC name of N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide (CID 10579723) is N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide.
What is the SMILES notation for N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide?
The canonical SMILES for N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide is Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)NC(=O)c4ccccc4)c3Cl)cccn2c1Br.
What is the InChIKey of N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide?
The InChIKey is VMABZFHKFQRNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrCl2N5O4/c1-15-23(27)34-12-6-9-20(24(34)31-15)38-14-17-18(28)10-11-19(22(17)29)33(2)21(35)13-30-26(37)32-25(36)16-7-4-3-5-8-16/h3-12H,13-14H2,1-2H3,(H2,30,32,36,37).
What are the key properties of N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide?
N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide has a molecular weight of 619.30 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide is sourced from PubChem (CID 10579723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).