2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide

C25H22BrCl2N5O3 — CID 18923462

IUPAC2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
SMILESCC(=O)N(CC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl)c1cccnc1
InChIInChI=1S/C25H22BrCl2N5O3/c1-15-24(26)32-11-5-7-21(25(32)30-15)36-14-18-19(27)8-9-20(23(18)28)31(3)22(35)13-33(16(2)34)17-6-4-10-29-12-17/h4-12H,13-14H2,1-3H3
InChIKeyMWNMPWJCJNKXQT-UHFFFAOYSA-N
MW591.29 g/mol
LogP5.70
Rot. Bonds7

About 2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide

2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide (PubChem CID 18923462) has the molecular formula C25H22BrCl2N5O3 and a molecular weight of 591.29 g/mol. Its IUPAC name is 2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
PubChem CID18923462
Molecular FormulaC25H22BrCl2N5O3
Molecular Weight591.29 g/mol
Exact Mass589.03
IUPAC Name2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
SMILESCC(=O)N(CC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl)c1cccnc1
InChIInChI=1S/C25H22BrCl2N5O3/c1-15-24(26)32-11-5-7-21(25(32)30-15)36-14-18-19(27)8-9-20(23(18)28)31(3)22(35)13-33(16(2)34)17-6-4-10-29-12-17/h4-12H,13-14H2,1-3H3
InChIKeyMWNMPWJCJNKXQT-UHFFFAOYSA-N
XLogP5.70
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.29
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide?
The IUPAC name of 2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide (CID 18923462) is 2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide.
What is the SMILES notation for 2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide?
The canonical SMILES for 2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide is CC(=O)N(CC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl)c1cccnc1.
What is the InChIKey of 2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide?
The InChIKey is MWNMPWJCJNKXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrCl2N5O3/c1-15-24(26)32-11-5-7-21(25(32)30-15)36-14-18-19(27)8-9-20(23(18)28)31(3)22(35)13-33(16(2)34)17-6-4-10-29-12-17/h4-12H,13-14H2,1-3H3.
What are the key properties of 2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide?
2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide has a molecular weight of 591.29 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide is sourced from PubChem (CID 18923462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).