N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C36H26F3N7O3S — CID 167792902

IUPACN-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NC(=O)c3cc(-c4ccccc4)nc4c3cnn4Cc3cccnc3)cc2)cc1
InChIInChI=1S/C36H26F3N7O3S/c1-23-9-11-26(12-10-23)32-19-33(36(37,38)39)43-46(32)27-13-15-28(16-14-27)50(48,49)44-35(47)29-18-31(25-7-3-2-4-8-25)42-34-30(29)21-41-45(34)22-24-6-5-17-40-20-24/h2-21H,22H2,1H3,(H,44,47)
InChIKeyYOZHNPAKHWMNMF-UHFFFAOYSA-N
MW693.71 g/mol
LogP6.84
Rot. Bonds8

About N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 167792902) has the molecular formula C36H26F3N7O3S and a molecular weight of 693.71 g/mol. Its IUPAC name is N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID167792902
Molecular FormulaC36H26F3N7O3S
Molecular Weight693.71 g/mol
Exact Mass693.18
IUPAC NameN-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NC(=O)c3cc(-c4ccccc4)nc4c3cnn4Cc3cccnc3)cc2)cc1
InChIInChI=1S/C36H26F3N7O3S/c1-23-9-11-26(12-10-23)32-19-33(36(37,38)39)43-46(32)27-13-15-28(16-14-27)50(48,49)44-35(47)29-18-31(25-7-3-2-4-8-25)42-34-30(29)21-41-45(34)22-24-6-5-17-40-20-24/h2-21H,22H2,1H3,(H,44,47)
InChIKeyYOZHNPAKHWMNMF-UHFFFAOYSA-N
XLogP6.84
TPSA124.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.71
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 167792902) is N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NC(=O)c3cc(-c4ccccc4)nc4c3cnn4Cc3cccnc3)cc2)cc1.
What is the InChIKey of N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YOZHNPAKHWMNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26F3N7O3S/c1-23-9-11-26(12-10-23)32-19-33(36(37,38)39)43-46(32)27-13-15-28(16-14-27)50(48,49)44-35(47)29-18-31(25-7-3-2-4-8-25)42-34-30(29)21-41-45(34)22-24-6-5-17-40-20-24/h2-21H,22H2,1H3,(H,44,47).
What are the key properties of N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 693.71 g/mol, XLogP of 6.84, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 167792902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).