7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide

C21H21ClN6O4S — CID 118737718

IUPAC7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12
InChIInChI=1S/C21H21ClN6O4S/c1-33(31,32)9-7-24-20(29)19-15(25-18-10-13(22)5-8-26(18)19)12-27-17-11-23-6-4-16(17)28(21(27)30)14-2-3-14/h4-6,8,10-11,14H,2-3,7,9,12H2,1H3,(H,24,29)
InChIKeyXMLFZKRSKKSSNT-UHFFFAOYSA-N
MW488.96 g/mol
LogP1.66
Rot. Bonds7

About 7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide

7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118737718) has the molecular formula C21H21ClN6O4S and a molecular weight of 488.96 g/mol. Its IUPAC name is 7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118737718
Molecular FormulaC21H21ClN6O4S
Molecular Weight488.96 g/mol
Exact Mass488.10
IUPAC Name7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12
InChIInChI=1S/C21H21ClN6O4S/c1-33(31,32)9-7-24-20(29)19-15(25-18-10-13(22)5-8-26(18)19)12-27-17-11-23-6-4-16(17)28(21(27)30)14-2-3-14/h4-6,8,10-11,14H,2-3,7,9,12H2,1H3,(H,24,29)
InChIKeyXMLFZKRSKKSSNT-UHFFFAOYSA-N
XLogP1.66
TPSA120.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.96
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[[7-chloro-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118737730
(E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enenitrile
CID 57410363
1-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]butane-2-sulfinate
CID 137498126
3-[[7-chloro-4-(3-methylsulfonylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;ethane;propane
CID 144839567
3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 57410246
1-cyclopropyl-3-[(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one
CID 67987627
3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropyl-7-methylimidazo[4,5-c]pyridin-2-one
CID 72703564
5-chloro-3-(2-methylsulfonylethyl)-1-piperidin-4-ylbenzimidazol-2-one
CID 121389286
7-chloro-N-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90683102
1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 130230374
1-cyclopropyl-3-[[1-(5-hydroxypentyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 18334827
2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile
CID 22349293

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 118737718) is 7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide is CS(=O)(=O)CCNC(=O)c1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12.
What is the InChIKey of 7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XMLFZKRSKKSSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O4S/c1-33(31,32)9-7-24-20(29)19-15(25-18-10-13(22)5-8-26(18)19)12-27-17-11-23-6-4-16(17)28(21(27)30)14-2-3-14/h4-6,8,10-11,14H,2-3,7,9,12H2,1H3,(H,24,29).
What are the key properties of 7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 488.96 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118737718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).