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

C26H21ClF3N5O3S — CID 57377625

IUPACN-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCCc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(-n3cccn3)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C26H21ClF3N5O3S/c1-2-23-25(32-24-13-6-19(27)17-33(23)24)35(16-18-4-9-21(10-5-18)38-26(28,29)30)39(36,37)22-11-7-20(8-12-22)34-15-3-14-31-34/h3-15,17H,2,16H2,1H3
InChIKeyJYEZBCHXQUZUCO-UHFFFAOYSA-N
MW576.00 g/mol
LogP6.03
Rot. Bonds8

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

N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 57377625) has the molecular formula C26H21ClF3N5O3S and a molecular weight of 576.00 g/mol. Its IUPAC name is N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID57377625
Molecular FormulaC26H21ClF3N5O3S
Molecular Weight576.00 g/mol
Exact Mass575.10
IUPAC NameN-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCCc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(-n3cccn3)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C26H21ClF3N5O3S/c1-2-23-25(32-24-13-6-19(27)17-33(23)24)35(16-18-4-9-21(10-5-18)38-26(28,29)30)39(36,37)22-11-7-20(8-12-22)34-15-3-14-31-34/h3-15,17H,2,16H2,1H3
InChIKeyJYEZBCHXQUZUCO-UHFFFAOYSA-N
XLogP6.03
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.00
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-Chloro-N-({3-[(4-ethoxyphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}methyl)benzene-1-sulfonamide
CID 16031292
5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 134133351
5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 134137863
5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 134141276
6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-pyrazol-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
CID 134146987
N-(4-aminocyclohexyl)-5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-methoxybenzenesulfonamide
CID 134147646
6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
CID 134148636
N-[(1-benzyltriazol-4-yl)methyl]-5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-methoxybenzenesulfonamide
CID 134148697
5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 134149528
5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 134153378
N-[2-[[6-chloro-3-(4-methoxy-3-pyrazol-1-ylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide
CID 134155860
5-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
CID 134155918

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 57377625) is N-(6-chloro-3-ethylimidazo[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-ethylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is CCc1c(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-ethylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is JYEZBCHXQUZUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N5O3S/c1-2-23-25(32-24-13-6-19(27)17-33(23)24)35(16-18-4-9-21(10-5-18)38-26(28,29)30)39(36,37)22-11-7-20(8-12-22)34-15-3-14-31-34/h3-15,17H,2,16H2,1H3.
What are the key properties of N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 576.00 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 57377625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).