N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide

C19H14F3N7O2S — CID 171467897

IUPACN-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1ncc2ccc(CC#N)c(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21
InChIInChI=1S/C19H14F3N7O2S/c1-28-18-13(9-25-28)3-2-12(4-6-23)17(18)27-32(30,31)15-10-26-29(11-15)16-8-14(5-7-24-16)19(20,21)22/h2-3,5,7-11,27H,4H2,1H3
InChIKeyKNZRRDITRAHNOB-UHFFFAOYSA-N
MW461.43 g/mol
LogP3.04
Rot. Bonds5

About N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide

N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 171467897) has the molecular formula C19H14F3N7O2S and a molecular weight of 461.43 g/mol. Its IUPAC name is N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
PubChem CID171467897
Molecular FormulaC19H14F3N7O2S
Molecular Weight461.43 g/mol
Exact Mass461.09
IUPAC NameN-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1ncc2ccc(CC#N)c(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21
InChIInChI=1S/C19H14F3N7O2S/c1-28-18-13(9-25-28)3-2-12(4-6-23)17(18)27-32(30,31)15-10-26-29(11-15)16-8-14(5-7-24-16)19(20,21)22/h2-3,5,7-11,27H,4H2,1H3
InChIKeyKNZRRDITRAHNOB-UHFFFAOYSA-N
XLogP3.04
TPSA118.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide (CID 171467897) is N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide is Cn1ncc2ccc(CC#N)c(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21.
What is the InChIKey of N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is KNZRRDITRAHNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N7O2S/c1-28-18-13(9-25-28)3-2-12(4-6-23)17(18)27-32(30,31)15-10-26-29(11-15)16-8-14(5-7-24-16)19(20,21)22/h2-3,5,7-11,27H,4H2,1H3.
What are the key properties of N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 461.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 171467897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).