4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile

C18H11F3N4 — CID 175991073

IUPAC4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile
SMILES[2H]c1cc(C(F)(F)F)ccc1-n1c2ccc(C#N)cc2c2nn(C)cc21
InChIInChI=1S/C18H11F3N4/c1-24-10-16-17(23-24)14-8-11(9-22)2-7-15(14)25(16)13-5-3-12(4-6-13)18(19,20)21/h2-8,10H,1H3/i5D
InChIKeyRPABOAHSSRAFBV-UICOGKGYSA-N
MW341.31 g/mol
LogP4.41
Rot. Bonds1

About 4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile

4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile (PubChem CID 175991073) has the molecular formula C18H11F3N4 and a molecular weight of 341.31 g/mol. Its IUPAC name is 4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile.

Molecular Properties

Compound Name4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile
PubChem CID175991073
Molecular FormulaC18H11F3N4
Molecular Weight341.31 g/mol
Exact Mass341.10
IUPAC Name4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile
SMILES[2H]c1cc(C(F)(F)F)ccc1-n1c2ccc(C#N)cc2c2nn(C)cc21
InChIInChI=1S/C18H11F3N4/c1-24-10-16-17(23-24)14-8-11(9-22)2-7-15(14)25(16)13-5-3-12(4-6-13)18(19,20)21/h2-8,10H,1H3/i5D
InChIKeyRPABOAHSSRAFBV-UICOGKGYSA-N
XLogP4.41
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
CID 157037390
2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
CID 157037796
6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
CID 162680923
9-[6-(3,6-dicyanocarbazol-9-yl)-10-[4-(1,1-difluoroethyl)phenyl]-9-[4-(trifluoromethyl)phenyl]anthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064680
[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]boronic acid
CID 157037680
2-methyl-7-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole
CID 157038056
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 142543910
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 146409769
2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037094
[9-[3,5-bis(trifluoromethyl)phenyl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane;4-[3,6-bis(triphenylsilyl)carbazol-9-yl]benzonitrile;triphenyl-[9-[3-(trifluoromethyl)phenyl]-6-triphenylsilylcarbazol-3-yl]silane;triphenyl-[9-[4-(trifluoromethyl)phenyl]-6-triphenylsilylcarbazol-3-yl]silane
CID 159403296
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
sodium 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylate
CID 157037365

Frequently Asked Questions

What is the IUPAC name of 4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile?
The IUPAC name of 4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile (CID 175991073) is 4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile.
What is the SMILES notation for 4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile?
The canonical SMILES for 4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile is [2H]c1cc(C(F)(F)F)ccc1-n1c2ccc(C#N)cc2c2nn(C)cc21.
What is the InChIKey of 4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile?
The InChIKey is RPABOAHSSRAFBV-UICOGKGYSA-N. The full InChI is InChI=1S/C18H11F3N4/c1-24-10-16-17(23-24)14-8-11(9-22)2-7-15(14)25(16)13-5-3-12(4-6-13)18(19,20)21/h2-8,10H,1H3/i5D.
What are the key properties of 4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile?
4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile has a molecular weight of 341.31 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile is sourced from PubChem (CID 175991073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).