[2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium

C24H18F2N5+ — CID 142127216

IUPAC[2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium
SMILESFc1cc(F)c2n[nH]c([NH2+]c3nc(-c4ccccc4C4CC4)nc4ccccc34)c2c1
InChIInChI=1S/C24H17F2N5/c25-14-11-18-21(19(26)12-14)30-31-24(18)29-23-17-7-3-4-8-20(17)27-22(28-23)16-6-2-1-5-15(16)13-9-10-13/h1-8,11-13H,9-10H2,(H2,27,28,29,30,31)/p+1
InChIKeyZFIFDZMZWLCECJ-UHFFFAOYSA-O
MW414.44 g/mol
LogP4.86
Rot. Bonds4

About [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium

[2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium (PubChem CID 142127216) has the molecular formula C24H18F2N5+ and a molecular weight of 414.44 g/mol. Its IUPAC name is [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium.

Molecular Properties

Compound Name[2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium
PubChem CID142127216
Molecular FormulaC24H18F2N5+
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name[2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium
SMILESFc1cc(F)c2n[nH]c([NH2+]c3nc(-c4ccccc4C4CC4)nc4ccccc34)c2c1
InChIInChI=1S/C24H17F2N5/c25-14-11-18-21(19(26)12-14)30-31-24(18)29-23-17-7-3-4-8-20(17)27-22(28-23)16-6-2-1-5-15(16)13-9-10-13/h1-8,11-13H,9-10H2,(H2,27,28,29,30,31)/p+1
InChIKeyZFIFDZMZWLCECJ-UHFFFAOYSA-O
XLogP4.86
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium?
The IUPAC name of [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium (CID 142127216) is [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium.
What is the SMILES notation for [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium?
The canonical SMILES for [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium is Fc1cc(F)c2n[nH]c([NH2+]c3nc(-c4ccccc4C4CC4)nc4ccccc34)c2c1.
What is the InChIKey of [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium?
The InChIKey is ZFIFDZMZWLCECJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H17F2N5/c25-14-11-18-21(19(26)12-14)30-31-24(18)29-23-17-7-3-4-8-20(17)27-22(28-23)16-6-2-1-5-15(16)13-9-10-13/h1-8,11-13H,9-10H2,(H2,27,28,29,30,31)/p+1.
What are the key properties of [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium?
[2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium has a molecular weight of 414.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium is sourced from PubChem (CID 142127216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).