4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide

C18H16F3N7O2S — CID 175708488

IUPAC4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide
SMILESNS(=O)(=O)C(CCC(F)(F)F)c1ccc(-n2cc(-c3ccnc4nc[nH]c34)cn2)nc1
InChIInChI=1S/C18H16F3N7O2S/c19-18(20,21)5-3-14(31(22,29)30)11-1-2-15(24-7-11)28-9-12(8-27-28)13-4-6-23-17-16(13)25-10-26-17/h1-2,4,6-10,14H,3,5H2,(H2,22,29,30)(H,23,25,26)
InChIKeyRYTUKAYVRKFKEL-UHFFFAOYSA-N
MW451.43 g/mol
LogP2.88
Rot. Bonds6

About 4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide

4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide (PubChem CID 175708488) has the molecular formula C18H16F3N7O2S and a molecular weight of 451.43 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide
PubChem CID175708488
Molecular FormulaC18H16F3N7O2S
Molecular Weight451.43 g/mol
Exact Mass451.10
IUPAC Name4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide
SMILESNS(=O)(=O)C(CCC(F)(F)F)c1ccc(-n2cc(-c3ccnc4nc[nH]c34)cn2)nc1
InChIInChI=1S/C18H16F3N7O2S/c19-18(20,21)5-3-14(31(22,29)30)11-1-2-15(24-7-11)28-9-12(8-27-28)13-4-6-23-17-16(13)25-10-26-17/h1-2,4,6-10,14H,3,5H2,(H2,22,29,30)(H,23,25,26)
InChIKeyRYTUKAYVRKFKEL-UHFFFAOYSA-N
XLogP2.88
TPSA132.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 155356698
2-cyano-N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]acetamide
CID 155356537
N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide
CID 155356754
2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile
CID 167578782
2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol
CID 155356254
1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol
CID 155356391
(1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol
CID 155356251
2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carbonitrile
CID 175708498
6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170964811
2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine
CID 175708460
1-[3-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-4,4,4-trifluorobutyl]-3-cyclopropylurea;1-[3-(6-bromo-3-pyridinyl)-4,4,4-trifluorobutyl]-3-cyclopropylurea;3-nitro-4-(1H-pyrazol-4-yl)pyridin-2-amine
CID 167664797
2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide
CID 155357005

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide (CID 175708488) is 4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide is NS(=O)(=O)C(CCC(F)(F)F)c1ccc(-n2cc(-c3ccnc4nc[nH]c34)cn2)nc1.
What is the InChIKey of 4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide?
The InChIKey is RYTUKAYVRKFKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7O2S/c19-18(20,21)5-3-14(31(22,29)30)11-1-2-15(24-7-11)28-9-12(8-27-28)13-4-6-23-17-16(13)25-10-26-17/h1-2,4,6-10,14H,3,5H2,(H2,22,29,30)(H,23,25,26).
What are the key properties of 4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide?
4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide has a molecular weight of 451.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 175708488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).