N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C21H15F3N6O — CID 44540160

IUPACN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C21H15F3N6O/c1-30-18(9-19(29-30)21(22,23)24)20(31)27-16-7-11(8-17-14(16)10-26-28-17)12-3-2-4-15-13(12)5-6-25-15/h2-10,25H,1H3,(H,26,28)(H,27,31)
InChIKeyTVHXNTDPKGREPI-UHFFFAOYSA-N
MW424.39 g/mol
LogP4.72
Rot. Bonds3

About N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 44540160) has the molecular formula C21H15F3N6O and a molecular weight of 424.39 g/mol. Its IUPAC name is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID44540160
Molecular FormulaC21H15F3N6O
Molecular Weight424.39 g/mol
Exact Mass424.13
IUPAC NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C21H15F3N6O/c1-30-18(9-19(29-30)21(22,23)24)20(31)27-16-7-11(8-17-14(16)10-26-28-17)12-3-2-4-15-13(12)5-6-25-15/h2-10,25H,1H3,(H,26,28)(H,27,31)
InChIKeyTVHXNTDPKGREPI-UHFFFAOYSA-N
XLogP4.72
TPSA91.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 44540160) is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12.
What is the InChIKey of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is TVHXNTDPKGREPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O/c1-30-18(9-19(29-30)21(22,23)24)20(31)27-16-7-11(8-17-14(16)10-26-28-17)12-3-2-4-15-13(12)5-6-25-15/h2-10,25H,1H3,(H,26,28)(H,27,31).
What are the key properties of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 424.39 g/mol, XLogP of 4.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 44540160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).