N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride

C26H26Cl3N5O3 — CID 67656283

IUPACN-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
SMILESCc1cccc(NC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4cc(C)nc34)c2Cl)c1.Cl
InChIInChI=1S/C26H25Cl2N5O3.ClH/c1-16-6-4-7-18(12-16)31-26(35)29-13-23(34)32(3)21-10-9-20(27)19(24(21)28)15-36-22-8-5-11-33-14-17(2)30-25(22)33;/h4-12,14H,13,15H2,1-3H3,(H2,29,31,35);1H
InChIKeyGHIDBECNAQTTHZ-UHFFFAOYSA-N
MW562.89 g/mol
LogP6.04
Rot. Bonds7

About N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride

N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride (PubChem CID 67656283) has the molecular formula C26H26Cl3N5O3 and a molecular weight of 562.89 g/mol. Its IUPAC name is N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
PubChem CID67656283
Molecular FormulaC26H26Cl3N5O3
Molecular Weight562.89 g/mol
Exact Mass561.11
IUPAC NameN-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
SMILESCc1cccc(NC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4cc(C)nc34)c2Cl)c1.Cl
InChIInChI=1S/C26H25Cl2N5O3.ClH/c1-16-6-4-7-18(12-16)31-26(35)29-13-23(34)32(3)21-10-9-20(27)19(24(21)28)15-36-22-8-5-11-33-14-17(2)30-25(22)33;/h4-12,14H,13,15H2,1-3H3,(H2,29,31,35);1H
InChIKeyGHIDBECNAQTTHZ-UHFFFAOYSA-N
XLogP6.04
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.89
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride?
The IUPAC name of N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride (CID 67656283) is N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride.
What is the SMILES notation for N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride?
The canonical SMILES for N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride is Cc1cccc(NC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4cc(C)nc34)c2Cl)c1.Cl.
What is the InChIKey of N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride?
The InChIKey is GHIDBECNAQTTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O3.ClH/c1-16-6-4-7-18(12-16)31-26(35)29-13-23(34)32(3)21-10-9-20(27)19(24(21)28)15-36-22-8-5-11-33-14-17(2)30-25(22)33;/h4-12,14H,13,15H2,1-3H3,(H2,29,31,35);1H.
What are the key properties of N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride?
N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride has a molecular weight of 562.89 g/mol, XLogP of 6.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride is sourced from PubChem (CID 67656283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).