2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole

C17H10F3N3 — CID 8003323

IUPAC2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole
SMILESFC(F)(F)c1cc(-c2ccccc2)nc2c3ccccc3nn12
InChIInChI=1S/C17H10F3N3/c18-17(19,20)15-10-14(11-6-2-1-3-7-11)21-16-12-8-4-5-9-13(12)22-23(15)16/h1-10H
InChIKeyGFLGIJPHHGQLLW-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.57
Rot. Bonds1

About 2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole

2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole (PubChem CID 8003323) has the molecular formula C17H10F3N3 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole.

Molecular Properties

Compound Name2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole
PubChem CID8003323
Molecular FormulaC17H10F3N3
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Name2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole
SMILESFC(F)(F)c1cc(-c2ccccc2)nc2c3ccccc3nn12
InChIInChI=1S/C17H10F3N3/c18-17(19,20)15-10-14(11-6-2-1-3-7-11)21-16-12-8-4-5-9-13(12)22-23(15)16/h1-10H
InChIKeyGFLGIJPHHGQLLW-UHFFFAOYSA-N
XLogP4.57
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2842283
3-phenyl-5-(4-propan-2-yloxyphenyl)-2,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 126225074
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 6945421
2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine
CID 139593926
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
2-methylsulfanyl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1255621
3-chloro-N-[(4-chlorophenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 157358783
3-[(4-bromophenyl)diazenyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 168665549
N-benzyl-3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3791839
3-bromo-N-[(4-fluorophenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1049296
5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1288372
[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 68958412

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole?
The IUPAC name of 2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole (CID 8003323) is 2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole.
What is the SMILES notation for 2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole?
The canonical SMILES for 2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole is FC(F)(F)c1cc(-c2ccccc2)nc2c3ccccc3nn12.
What is the InChIKey of 2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole?
The InChIKey is GFLGIJPHHGQLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3/c18-17(19,20)15-10-14(11-6-2-1-3-7-11)21-16-12-8-4-5-9-13(12)22-23(15)16/h1-10H.
What are the key properties of 2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole?
2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole has a molecular weight of 313.28 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(trifluoromethyl)pyrimido[1,2-b]indazole is sourced from PubChem (CID 8003323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).