7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine

C20H17N7 — CID 158554210

IUPAC7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCc3ccccn3)nc12
InChIInChI=1S/C20H17N7/c21-20-19-16(12-27(26-19)10-7-14-3-1-2-8-22-14)15-5-4-13(11-18(15)24-20)17-6-9-23-25-17/h1-6,8-9,11-12H,7,10H2,(H2,21,24)(H,23,25)
InChIKeyHQBTZJYVUIYUSP-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.19
Rot. Bonds4

About 7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine

7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 158554210) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is 7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine
PubChem CID158554210
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC Name7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCc3ccccn3)nc12
InChIInChI=1S/C20H17N7/c21-20-19-16(12-27(26-19)10-7-14-3-1-2-8-22-14)15-5-4-13(11-18(15)24-20)17-6-9-23-25-17/h1-6,8-9,11-12H,7,10H2,(H2,21,24)(H,23,25)
InChIKeyHQBTZJYVUIYUSP-UHFFFAOYSA-N
XLogP3.19
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine (CID 158554210) is 7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine is Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCc3ccccn3)nc12.
What is the InChIKey of 7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is HQBTZJYVUIYUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c21-20-19-16(12-27(26-19)10-7-14-3-1-2-8-22-14)15-5-4-13(11-18(15)24-20)17-6-9-23-25-17/h1-6,8-9,11-12H,7,10H2,(H2,21,24)(H,23,25).
What are the key properties of 7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine?
7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 355.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 158554210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).