2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide

C18H13F3N4O — CID 157037796

IUPAC2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
SMILESCn1cc2c(n1)c1cc(C(N)=O)ccc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N4O/c1-24-9-15-16(23-24)13-8-10(17(22)26)2-7-14(13)25(15)12-5-3-11(4-6-12)18(19,20)21/h2-9H,1H3,(H2,22,26)
InChIKeyCXSGSHAJMUILPF-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.63
Rot. Bonds2

About 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide

2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide (PubChem CID 157037796) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
PubChem CID157037796
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
SMILESCn1cc2c(n1)c1cc(C(N)=O)ccc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N4O/c1-24-9-15-16(23-24)13-8-10(17(22)26)2-7-14(13)25(15)12-5-3-11(4-6-12)18(19,20)21/h2-9H,1H3,(H2,22,26)
InChIKeyCXSGSHAJMUILPF-UHFFFAOYSA-N
XLogP3.63
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037094
N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
CID 157037390
sodium 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylate
CID 157037365
1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide
CID 157037746
2-(pyridin-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 168788059
4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile
CID 175991073
5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
CID 162680935
N-(1-hydroxypropan-2-yl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037940
N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 166838335
2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide
CID 176741221
4-methyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxylic acid
CID 157037619
3-(methylsulfonimidoyl)propyl 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylate
CID 157037088

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide?
The IUPAC name of 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide (CID 157037796) is 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide.
What is the SMILES notation for 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide?
The canonical SMILES for 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide is Cn1cc2c(n1)c1cc(C(N)=O)ccc1n2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide?
The InChIKey is CXSGSHAJMUILPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-24-9-15-16(23-24)13-8-10(17(22)26)2-7-14(13)25(15)12-5-3-11(4-6-12)18(19,20)21/h2-9H,1H3,(H2,22,26).
What are the key properties of 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide?
2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide is sourced from PubChem (CID 157037796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).