3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide

C22H20ClFN4OS — CID 18732935

IUPAC3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
SMILESCCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2sccc2Cl)nc2cccnc21
InChIInChI=1S/C22H20ClFN4OS/c1-2-11-28-19(26-18-4-3-10-25-21(18)28)14-27(13-15-5-7-16(24)8-6-15)22(29)20-17(23)9-12-30-20/h3-10,12H,2,11,13-14H2,1H3
InChIKeyGGGXTVJLIGIAPW-UHFFFAOYSA-N
MW442.95 g/mol
LogP5.54
Rot. Bonds7

About 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide

3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 18732935) has the molecular formula C22H20ClFN4OS and a molecular weight of 442.95 g/mol. Its IUPAC name is 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID18732935
Molecular FormulaC22H20ClFN4OS
Molecular Weight442.95 g/mol
Exact Mass442.10
IUPAC Name3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
SMILESCCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2sccc2Cl)nc2cccnc21
InChIInChI=1S/C22H20ClFN4OS/c1-2-11-28-19(26-18-4-3-10-25-21(18)28)14-27(13-15-5-7-16(24)8-6-15)22(29)20-17(23)9-12-30-20/h3-10,12H,2,11,13-14H2,1H3
InChIKeyGGGXTVJLIGIAPW-UHFFFAOYSA-N
XLogP5.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.95
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-(2-thienyl)imidazo(1,2-a)pyridin-3-yl)benzamide
CID 979718
N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 695176
4-chloro-N-[6-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 979726
4-chloro-N-[6-chloro-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 979730
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
CID 67123042
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 122445528
1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
CID 137638641
N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)thiophene-2-carboxamide
CID 752234
N-[7-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 843190
N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide
CID 1442508

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide (CID 18732935) is 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide is CCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2sccc2Cl)nc2cccnc21.
What is the InChIKey of 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is GGGXTVJLIGIAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4OS/c1-2-11-28-19(26-18-4-3-10-25-21(18)28)14-27(13-15-5-7-16(24)8-6-15)22(29)20-17(23)9-12-30-20/h3-10,12H,2,11,13-14H2,1H3.
What are the key properties of 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide?
3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 18732935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).