N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine

C21H13F3N6 — CID 20626377

IUPACN-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cnccc2n1
InChIInChI=1S/C21H13F3N6/c22-21(23,24)15-7-3-1-5-12(15)18-26-16-9-10-25-11-14(16)19(27-18)28-20-13-6-2-4-8-17(13)29-30-20/h1-11H,(H2,26,27,28,29,30)
InChIKeyFLZQYQJYIAWOPA-UHFFFAOYSA-N
MW406.37 g/mol
LogP5.33
Rot. Bonds3

About N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine

N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 20626377) has the molecular formula C21H13F3N6 and a molecular weight of 406.37 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine
PubChem CID20626377
Molecular FormulaC21H13F3N6
Molecular Weight406.37 g/mol
Exact Mass406.12
IUPAC NameN-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cnccc2n1
InChIInChI=1S/C21H13F3N6/c22-21(23,24)15-7-3-1-5-12(15)18-26-16-9-10-25-11-14(16)19(27-18)28-20-13-6-2-4-8-17(13)29-30-20/h1-11H,(H2,26,27,28,29,30)
InChIKeyFLZQYQJYIAWOPA-UHFFFAOYSA-N
XLogP5.33
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.37
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine (CID 20626377) is N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine is FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cnccc2n1.
What is the InChIKey of N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is FLZQYQJYIAWOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N6/c22-21(23,24)15-7-3-1-5-12(15)18-26-16-9-10-25-11-14(16)19(27-18)28-20-13-6-2-4-8-17(13)29-30-20/h1-11H,(H2,26,27,28,29,30).
What are the key properties of N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine?
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 406.37 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 20626377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).