7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen

C18H15F3N4O2 — CID 159104976

IUPAC7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen
SMILESCc1cc2[nH]cc(C(=O)Nc3ccc4c(C(F)(F)F)c[nH]c4c3)c(=O)n2c1.[H][H]
InChIInChI=1S/C18H13F3N4O2.H2/c1-9-4-15-23-6-12(17(27)25(15)8-9)16(26)24-10-2-3-11-13(18(19,20)21)7-22-14(11)5-10;/h2-8,22-23H,1H3,(H,24,26);1H
InChIKeyKDTNEEKWTQVYFR-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.93
Rot. Bonds2

About 7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen

7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen (PubChem CID 159104976) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen
PubChem CID159104976
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen
SMILESCc1cc2[nH]cc(C(=O)Nc3ccc4c(C(F)(F)F)c[nH]c4c3)c(=O)n2c1.[H][H]
InChIInChI=1S/C18H13F3N4O2.H2/c1-9-4-15-23-6-12(17(27)25(15)8-9)16(26)24-10-2-3-11-13(18(19,20)21)7-22-14(11)5-10;/h2-8,22-23H,1H3,(H,24,26);1H
InChIKeyKDTNEEKWTQVYFR-UHFFFAOYSA-N
XLogP3.93
TPSA82.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206284
6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206647
N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206270
3-tert-butyl-1H-indol-6-amine;N-(3-tert-butyl-1H-indol-6-yl)-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide;3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxylic acid
CID 162132676
N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206264
N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)benzamide
CID 122630182
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
7-methyl-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 37163110
1-ethyl-3-methyl-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrazole-4-carboxamide
CID 4078202
5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide
CID 63117335
6-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 110860870
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen?
The IUPAC name of 7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen (CID 159104976) is 7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen is Cc1cc2[nH]cc(C(=O)Nc3ccc4c(C(F)(F)F)c[nH]c4c3)c(=O)n2c1.[H][H].
What is the InChIKey of 7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen?
The InChIKey is KDTNEEKWTQVYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2.H2/c1-9-4-15-23-6-12(17(27)25(15)8-9)16(26)24-10-2-3-11-13(18(19,20)21)7-22-14(11)5-10;/h2-8,22-23H,1H3,(H,24,26);1H.
What are the key properties of 7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen?
7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen has a molecular weight of 376.34 g/mol, XLogP of 3.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-N-[3-(trifluoromethyl)-1H-indol-6-yl]-1H-pyrrolo[1,2-a]pyrimidine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 159104976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).