N-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

C25H19ClF3N5O3S — CID 57378062

IUPACN-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(-n3cccn3)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C25H19ClF3N5O3S/c1-17-24(31-23-12-5-19(26)16-32(17)23)34(15-18-3-8-21(9-4-18)37-25(27,28)29)38(35,36)22-10-6-20(7-11-22)33-14-2-13-30-33/h2-14,16H,15H2,1H3
InChIKeyYRMXCJOQQFYYHU-UHFFFAOYSA-N
MW561.97 g/mol
LogP5.78
Rot. Bonds7

About N-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

N-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 57378062) has the molecular formula C25H19ClF3N5O3S and a molecular weight of 561.97 g/mol. Its IUPAC name is N-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID57378062
Molecular FormulaC25H19ClF3N5O3S
Molecular Weight561.97 g/mol
Exact Mass561.08
IUPAC NameN-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(-n3cccn3)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C25H19ClF3N5O3S/c1-17-24(31-23-12-5-19(26)16-32(17)23)34(15-18-3-8-21(9-4-18)37-25(27,28)29)38(35,36)22-10-6-20(7-11-22)33-14-2-13-30-33/h2-14,16H,15H2,1H3
InChIKeyYRMXCJOQQFYYHU-UHFFFAOYSA-N
XLogP5.78
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.97
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 57378062) is N-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(-n3cccn3)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of N-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is YRMXCJOQQFYYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N5O3S/c1-17-24(31-23-12-5-19(26)16-32(17)23)34(15-18-3-8-21(9-4-18)37-25(27,28)29)38(35,36)22-10-6-20(7-11-22)33-14-2-13-30-33/h2-14,16H,15H2,1H3.
What are the key properties of N-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 561.97 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 57378062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).