2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide

C18H13F3N6O — CID 59483540

IUPAC2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide
SMILESCn1nc(NC(=O)c2nc(N)nc3ccccc23)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C18H13F3N6O/c1-27-13-7-6-9(18(19,20)21)8-11(13)15(26-27)25-16(28)14-10-4-2-3-5-12(10)23-17(22)24-14/h2-8H,1H3,(H2,22,23,24)(H,25,26,28)
InChIKeyWEVCCCZPLWKLAT-UHFFFAOYSA-N
MW386.34 g/mol
LogP3.37
Rot. Bonds2

About 2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide

2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide (PubChem CID 59483540) has the molecular formula C18H13F3N6O and a molecular weight of 386.34 g/mol. Its IUPAC name is 2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide
PubChem CID59483540
Molecular FormulaC18H13F3N6O
Molecular Weight386.34 g/mol
Exact Mass386.11
IUPAC Name2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide
SMILESCn1nc(NC(=O)c2nc(N)nc3ccccc23)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C18H13F3N6O/c1-27-13-7-6-9(18(19,20)21)8-11(13)15(26-27)25-16(28)14-10-4-2-3-5-12(10)23-17(22)24-14/h2-8H,1H3,(H2,22,23,24)(H,25,26,28)
InChIKeyWEVCCCZPLWKLAT-UHFFFAOYSA-N
XLogP3.37
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide (CID 59483540) is 2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide is Cn1nc(NC(=O)c2nc(N)nc3ccccc23)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide?
The InChIKey is WEVCCCZPLWKLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O/c1-27-13-7-6-9(18(19,20)21)8-11(13)15(26-27)25-16(28)14-10-4-2-3-5-12(10)23-17(22)24-14/h2-8H,1H3,(H2,22,23,24)(H,25,26,28).
What are the key properties of 2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide?
2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide has a molecular weight of 386.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]quinazoline-4-carboxamide is sourced from PubChem (CID 59483540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).