3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide

C24H15F3N6O — CID 69199390

IUPAC3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide
SMILESN#Cc1ccc(-c2n[nH]c3c2Cc2cc(C(=O)NCc4ccc(C(F)(F)F)nc4)ccc2-3)cn1
InChIInChI=1S/C24H15F3N6O/c25-24(26,27)20-6-1-13(10-30-20)11-31-23(34)14-3-5-18-16(7-14)8-19-21(32-33-22(18)19)15-2-4-17(9-28)29-12-15/h1-7,10,12H,8,11H2,(H,31,34)(H,32,33)
InChIKeyREJFARMRSLZRQX-UHFFFAOYSA-N
MW460.42 g/mol
LogP4.26
Rot. Bonds4

About 3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide

3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide (PubChem CID 69199390) has the molecular formula C24H15F3N6O and a molecular weight of 460.42 g/mol. Its IUPAC name is 3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide.

Molecular Properties

Compound Name3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide
PubChem CID69199390
Molecular FormulaC24H15F3N6O
Molecular Weight460.42 g/mol
Exact Mass460.13
IUPAC Name3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide
SMILESN#Cc1ccc(-c2n[nH]c3c2Cc2cc(C(=O)NCc4ccc(C(F)(F)F)nc4)ccc2-3)cn1
InChIInChI=1S/C24H15F3N6O/c25-24(26,27)20-6-1-13(10-30-20)11-31-23(34)14-3-5-18-16(7-14)8-19-21(32-33-22(18)19)15-2-4-17(9-28)29-12-15/h1-7,10,12H,8,11H2,(H,31,34)(H,32,33)
InChIKeyREJFARMRSLZRQX-UHFFFAOYSA-N
XLogP4.26
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide?
The IUPAC name of 3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide (CID 69199390) is 3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide.
What is the SMILES notation for 3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide?
The canonical SMILES for 3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide is N#Cc1ccc(-c2n[nH]c3c2Cc2cc(C(=O)NCc4ccc(C(F)(F)F)nc4)ccc2-3)cn1.
What is the InChIKey of 3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide?
The InChIKey is REJFARMRSLZRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O/c25-24(26,27)20-6-1-13(10-30-20)11-31-23(34)14-3-5-18-16(7-14)8-19-21(32-33-22(18)19)15-2-4-17(9-28)29-12-15/h1-7,10,12H,8,11H2,(H,31,34)(H,32,33).
What are the key properties of 3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide?
3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide has a molecular weight of 460.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyano-3-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide is sourced from PubChem (CID 69199390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).