N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide

C19H14BrF2N5O — CID 86949153

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cn3cc(Br)ccc3n2)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C19H14BrF2N5O/c1-26-10-15(18(25-26)14-4-3-12(21)6-16(14)22)19(28)23-7-13-9-27-8-11(20)2-5-17(27)24-13/h2-6,8-10H,7H2,1H3,(H,23,28)
InChIKeyZJIJCGKJHVLNAF-UHFFFAOYSA-N
MW446.26 g/mol
LogP3.71
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 86949153) has the molecular formula C19H14BrF2N5O and a molecular weight of 446.26 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID86949153
Molecular FormulaC19H14BrF2N5O
Molecular Weight446.26 g/mol
Exact Mass445.03
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cn3cc(Br)ccc3n2)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C19H14BrF2N5O/c1-26-10-15(18(25-26)14-4-3-12(21)6-16(14)22)19(28)23-7-13-9-27-8-11(20)2-5-17(27)24-13/h2-6,8-10H,7H2,1H3,(H,23,28)
InChIKeyZJIJCGKJHVLNAF-UHFFFAOYSA-N
XLogP3.71
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-bromobenzoyl)-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbohydrazide
CID 86947969
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86948212
3-(2,4-difluorophenyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 86948044
5-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-fluorobenzamide
CID 86917632
methyl N-[4-[[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]methyl]phenyl]carbamate
CID 86948179
3-(2,4-difluorophenyl)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 95900693
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86948368
3-(2,4-difluorophenyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 86949267
3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
CID 86947975
3-(2,4-difluorophenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86949170
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
CID 55975866
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide
CID 55976894

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide (CID 86949153) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cn3cc(Br)ccc3n2)c(-c2ccc(F)cc2F)n1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is ZJIJCGKJHVLNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF2N5O/c1-26-10-15(18(25-26)14-4-3-12(21)6-16(14)22)19(28)23-7-13-9-27-8-11(20)2-5-17(27)24-13/h2-6,8-10H,7H2,1H3,(H,23,28).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 446.26 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86949153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).