N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride

C22H23BrCl3N5O3 — CID 18923591

IUPACN-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride
SMILESC=CCNC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl.Cl
InChIInChI=1S/C22H22BrCl2N5O3.ClH/c1-4-9-26-22(32)27-11-18(31)29(3)16-8-7-15(24)14(19(16)25)12-33-17-6-5-10-30-20(23)13(2)28-21(17)30;/h4-8,10H,1,9,11-12H2,2-3H3,(H2,26,27,32);1H
InChIKeyPWSACEILOSKCCC-UHFFFAOYSA-N
MW591.72 g/mol
LogP5.16
Rot. Bonds8

About N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride

N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride (PubChem CID 18923591) has the molecular formula C22H23BrCl3N5O3 and a molecular weight of 591.72 g/mol. Its IUPAC name is N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride
PubChem CID18923591
Molecular FormulaC22H23BrCl3N5O3
Molecular Weight591.72 g/mol
Exact Mass589.00
IUPAC NameN-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride
SMILESC=CCNC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl.Cl
InChIInChI=1S/C22H22BrCl2N5O3.ClH/c1-4-9-26-22(32)27-11-18(31)29(3)16-8-7-15(24)14(19(16)25)12-33-17-6-5-10-30-20(23)13(2)28-21(17)30;/h4-8,10H,1,9,11-12H2,2-3H3,(H2,26,27,32);1H
InChIKeyPWSACEILOSKCCC-UHFFFAOYSA-N
XLogP5.16
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.72
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride?
The IUPAC name of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride (CID 18923591) is N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride?
The canonical SMILES for N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride is C=CCNC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl.Cl.
What is the InChIKey of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride?
The InChIKey is PWSACEILOSKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrCl2N5O3.ClH/c1-4-9-26-22(32)27-11-18(31)29(3)16-8-7-15(24)14(19(16)25)12-33-17-6-5-10-30-20(23)13(2)28-21(17)30;/h4-8,10H,1,9,11-12H2,2-3H3,(H2,26,27,32);1H.
What are the key properties of N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride?
N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride has a molecular weight of 591.72 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-(prop-2-enylcarbamoylamino)acetamide;hydrochloride is sourced from PubChem (CID 18923591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).