N-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine

C17H13N5 — CID 44532720

IUPACN-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine
SMILESc1ccc(-c2[nH]ncc2Nc2ccnc3ccccc23)nc1
InChIInChI=1S/C17H13N5/c1-2-6-13-12(5-1)14(8-10-19-13)21-16-11-20-22-17(16)15-7-3-4-9-18-15/h1-11H,(H,19,21)(H,20,22)
InChIKeyICRTWQVNVIHOKY-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.76
Rot. Bonds3

About N-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine

N-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine (PubChem CID 44532720) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine
PubChem CID44532720
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC NameN-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine
SMILESc1ccc(-c2[nH]ncc2Nc2ccnc3ccccc23)nc1
InChIInChI=1S/C17H13N5/c1-2-6-13-12(5-1)14(8-10-19-13)21-16-11-20-22-17(16)15-7-3-4-9-18-15/h1-11H,(H,19,21)(H,20,22)
InChIKeyICRTWQVNVIHOKY-UHFFFAOYSA-N
XLogP3.76
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine?
The IUPAC name of N-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine (CID 44532720) is N-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine.
What is the SMILES notation for N-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine?
The canonical SMILES for N-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine is c1ccc(-c2[nH]ncc2Nc2ccnc3ccccc23)nc1.
What is the InChIKey of N-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine?
The InChIKey is ICRTWQVNVIHOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c1-2-6-13-12(5-1)14(8-10-19-13)21-16-11-20-22-17(16)15-7-3-4-9-18-15/h1-11H,(H,19,21)(H,20,22).
What are the key properties of N-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine?
N-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine has a molecular weight of 287.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-4-amine is sourced from PubChem (CID 44532720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).