N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine

C21H16N6 — CID 10154992

IUPACN-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine
SMILESCc1ccc2c(Nc3ccc4[nH]ncc4c3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C21H16N6/c1-13-2-4-17-19(10-13)25-20(14-6-8-22-9-7-14)26-21(17)24-16-3-5-18-15(11-16)12-23-27-18/h2-12H,1H3,(H,23,27)(H,24,25,26)
InChIKeyFHNLEBLPJSVUIZ-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.62
Rot. Bonds3

About N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine

N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 10154992) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine
PubChem CID10154992
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC NameN-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine
SMILESCc1ccc2c(Nc3ccc4[nH]ncc4c3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C21H16N6/c1-13-2-4-17-19(10-13)25-20(14-6-8-22-9-7-14)26-21(17)24-16-3-5-18-15(11-16)12-23-27-18/h2-12H,1H3,(H,23,27)(H,24,25,26)
InChIKeyFHNLEBLPJSVUIZ-UHFFFAOYSA-N
XLogP4.62
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine (CID 10154992) is N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine is Cc1ccc2c(Nc3ccc4[nH]ncc4c3)nc(-c3ccncc3)nc2c1.
What is the InChIKey of N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is FHNLEBLPJSVUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6/c1-13-2-4-17-19(10-13)25-20(14-6-8-22-9-7-14)26-21(17)24-16-3-5-18-15(11-16)12-23-27-18/h2-12H,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine?
N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 352.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 10154992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).