N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide

C26H19F3N6O2 — CID 140616543

IUPACN-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1nc(-c2cc(C(=O)NCc3ccc(F)c(F)c3)ccc2F)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C26H19F3N6O2/c1-34-24(32-26(37)22-14-30-23-4-2-3-9-35(22)23)12-21(33-34)17-11-16(6-8-18(17)27)25(36)31-13-15-5-7-19(28)20(29)10-15/h2-12,14H,13H2,1H3,(H,31,36)(H,32,37)
InChIKeyOCRVBNUBFGVJEB-UHFFFAOYSA-N
MW504.47 g/mol
LogP4.33
Rot. Bonds6

About N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 140616543) has the molecular formula C26H19F3N6O2 and a molecular weight of 504.47 g/mol. Its IUPAC name is N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID140616543
Molecular FormulaC26H19F3N6O2
Molecular Weight504.47 g/mol
Exact Mass504.15
IUPAC NameN-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1nc(-c2cc(C(=O)NCc3ccc(F)c(F)c3)ccc2F)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C26H19F3N6O2/c1-34-24(32-26(37)22-14-30-23-4-2-3-9-35(22)23)12-21(33-34)17-11-16(6-8-18(17)27)25(36)31-13-15-5-7-19(28)20(29)10-15/h2-12,14H,13H2,1H3,(H,31,36)(H,32,37)
InChIKeyOCRVBNUBFGVJEB-UHFFFAOYSA-N
XLogP4.33
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate
CID 71283111
N-[2-methyl-5-[(pyridine-3-carbonylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86763809
N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[4-[3-(ethylamino)propylcarbamoyl]-3-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144540978
N-[5-(benzylcarbamoyl)-2-fluorophenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 123779171
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 146264079
N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78048635
ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144771657
N-[5-(cyclopentylcarbamoyl)-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71292506
methyl 3-[(imidazo[1,2-a]pyridine-3-carbonylamino)methyl]-4-propylbenzoate
CID 162361898
7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283095
N-[5-[3-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281727
N-[(3,4-difluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70727068

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 140616543) is N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cn1nc(-c2cc(C(=O)NCc3ccc(F)c(F)c3)ccc2F)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OCRVBNUBFGVJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N6O2/c1-34-24(32-26(37)22-14-30-23-4-2-3-9-35(22)23)12-21(33-34)17-11-16(6-8-18(17)27)25(36)31-13-15-5-7-19(28)20(29)10-15/h2-12,14H,13H2,1H3,(H,31,36)(H,32,37).
What are the key properties of N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 504.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 140616543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).