N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide

C21H14N6O — CID 44570155

IUPACN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cnccn1
InChIInChI=1S/C21H14N6O/c28-21(18-12-22-10-11-23-18)25-20-19-16(15-8-4-5-9-17(15)24-20)13-27(26-19)14-6-2-1-3-7-14/h1-13H,(H,24,25,28)
InChIKeyXDGCTCMTQVAOMK-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.62
Rot. Bonds3

About N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide

N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide (PubChem CID 44570155) has the molecular formula C21H14N6O and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide
PubChem CID44570155
Molecular FormulaC21H14N6O
Molecular Weight366.38 g/mol
Exact Mass366.12
IUPAC NameN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cnccn1
InChIInChI=1S/C21H14N6O/c28-21(18-12-22-10-11-23-18)25-20-19-16(15-8-4-5-9-17(15)24-20)13-27(26-19)14-6-2-1-3-7-14/h1-13H,(H,24,25,28)
InChIKeyXDGCTCMTQVAOMK-UHFFFAOYSA-N
XLogP3.62
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide (CID 44570155) is N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide is O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cnccn1.
What is the InChIKey of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide?
The InChIKey is XDGCTCMTQVAOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N6O/c28-21(18-12-22-10-11-23-18)25-20-19-16(15-8-4-5-9-17(15)24-20)13-27(26-19)14-6-2-1-3-7-14/h1-13H,(H,24,25,28).
What are the key properties of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide?
N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 44570155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).