N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine

C20H12F3N7 — CID 20626371

IUPACN-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2nccnc2n1
InChIInChI=1S/C20H12F3N7/c21-20(22,23)13-7-3-1-5-11(13)16-26-18-15(24-9-10-25-18)19(27-16)28-17-12-6-2-4-8-14(12)29-30-17/h1-10H,(H2,25,26,27,28,29,30)
InChIKeyFYYQQEXLOGFBPO-UHFFFAOYSA-N
MW407.36 g/mol
LogP4.73
Rot. Bonds3

About N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine

N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine (PubChem CID 20626371) has the molecular formula C20H12F3N7 and a molecular weight of 407.36 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine
PubChem CID20626371
Molecular FormulaC20H12F3N7
Molecular Weight407.36 g/mol
Exact Mass407.11
IUPAC NameN-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2nccnc2n1
InChIInChI=1S/C20H12F3N7/c21-20(22,23)13-7-3-1-5-11(13)16-26-18-15(24-9-10-25-18)19(27-16)28-17-12-6-2-4-8-14(12)29-30-17/h1-10H,(H2,25,26,27,28,29,30)
InChIKeyFYYQQEXLOGFBPO-UHFFFAOYSA-N
XLogP4.73
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine?
The IUPAC name of N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine (CID 20626371) is N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine.
What is the SMILES notation for N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine?
The canonical SMILES for N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine is FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2nccnc2n1.
What is the InChIKey of N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine?
The InChIKey is FYYQQEXLOGFBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N7/c21-20(22,23)13-7-3-1-5-11(13)16-26-18-15(24-9-10-25-18)19(27-16)28-17-12-6-2-4-8-14(12)29-30-17/h1-10H,(H2,25,26,27,28,29,30).
What are the key properties of N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine?
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine has a molecular weight of 407.36 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine is sourced from PubChem (CID 20626371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).