N-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine

C22H16N6 — CID 71295991

IUPACN-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine
SMILESc1ccc(-c2cc(Nc3nc(-c4ccncc4)nc4ccccc34)n[nH]2)cc1
InChIInChI=1S/C22H16N6/c1-2-6-15(7-3-1)19-14-20(28-27-19)25-22-17-8-4-5-9-18(17)24-21(26-22)16-10-12-23-13-11-16/h1-14H,(H2,24,25,26,27,28)
InChIKeyOMNOGBPVYFVKRM-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.83
Rot. Bonds4

About N-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine

N-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 71295991) has the molecular formula C22H16N6 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID71295991
Molecular FormulaC22H16N6
Molecular Weight364.41 g/mol
Exact Mass364.14
IUPAC NameN-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine
SMILESc1ccc(-c2cc(Nc3nc(-c4ccncc4)nc4ccccc34)n[nH]2)cc1
InChIInChI=1S/C22H16N6/c1-2-6-15(7-3-1)19-14-20(28-27-19)25-22-17-8-4-5-9-18(17)24-21(26-22)16-10-12-23-13-11-16/h1-14H,(H2,24,25,26,27,28)
InChIKeyOMNOGBPVYFVKRM-UHFFFAOYSA-N
XLogP4.83
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine (CID 71295991) is N-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine is c1ccc(-c2cc(Nc3nc(-c4ccncc4)nc4ccccc34)n[nH]2)cc1.
What is the InChIKey of N-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is OMNOGBPVYFVKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6/c1-2-6-15(7-3-1)19-14-20(28-27-19)25-22-17-8-4-5-9-18(17)24-21(26-22)16-10-12-23-13-11-16/h1-14H,(H2,24,25,26,27,28).
What are the key properties of N-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine?
N-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 364.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 71295991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).