1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H11F7N6O3S — CID 146279670

IUPAC1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ncc(NC(=O)c2cnn(-c3ccc(F)c4nccn34)c2C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C19H11F7N6O3S/c1-36(34,35)17-11(18(21,22)23)6-9(7-28-17)30-16(33)10-8-29-32(14(10)19(24,25)26)13-3-2-12(20)15-27-4-5-31(13)15/h2-8H,1H3,(H,30,33)
InChIKeyDNOZIQURCLSQFX-UHFFFAOYSA-N
MW536.39 g/mol
LogP3.75
Rot. Bonds4

About 1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146279670) has the molecular formula C19H11F7N6O3S and a molecular weight of 536.39 g/mol. Its IUPAC name is 1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID146279670
Molecular FormulaC19H11F7N6O3S
Molecular Weight536.39 g/mol
Exact Mass536.05
IUPAC Name1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ncc(NC(=O)c2cnn(-c3ccc(F)c4nccn34)c2C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C19H11F7N6O3S/c1-36(34,35)17-11(18(21,22)23)6-9(7-28-17)30-16(33)10-8-29-32(14(10)19(24,25)26)13-3-2-12(20)15-27-4-5-31(13)15/h2-8H,1H3,(H,30,33)
InChIKeyDNOZIQURCLSQFX-UHFFFAOYSA-N
XLogP3.75
TPSA111.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146279670) is 1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CS(=O)(=O)c1ncc(NC(=O)c2cnn(-c3ccc(F)c4nccn34)c2C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DNOZIQURCLSQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F7N6O3S/c1-36(34,35)17-11(18(21,22)23)6-9(7-28-17)30-16(33)10-8-29-32(14(10)19(24,25)26)13-3-2-12(20)15-27-4-5-31(13)15/h2-8H,1H3,(H,30,33).
What are the key properties of 1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 536.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-N-[6-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146279670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).