N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine

C17H16N6O — CID 71139819

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine
SMILESCOc1cccc2c1nc(Nc1cc(C3CC3)[nH]n1)c1[nH]ncc12
InChIInChI=1S/C17H16N6O/c1-24-13-4-2-3-10-11-8-18-23-16(11)17(20-15(10)13)19-14-7-12(21-22-14)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,18,23)(H2,19,20,21,22)
InChIKeyPETGMOBCIGWBBV-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.46
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 71139819) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine
PubChem CID71139819
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine
SMILESCOc1cccc2c1nc(Nc1cc(C3CC3)[nH]n1)c1[nH]ncc12
InChIInChI=1S/C17H16N6O/c1-24-13-4-2-3-10-11-8-18-23-16(11)17(20-15(10)13)19-14-7-12(21-22-14)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,18,23)(H2,19,20,21,22)
InChIKeyPETGMOBCIGWBBV-UHFFFAOYSA-N
XLogP3.46
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine (CID 71139819) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine is COc1cccc2c1nc(Nc1cc(C3CC3)[nH]n1)c1[nH]ncc12.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is PETGMOBCIGWBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-24-13-4-2-3-10-11-8-18-23-16(11)17(20-15(10)13)19-14-7-12(21-22-14)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,18,23)(H2,19,20,21,22).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 320.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-3H-pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 71139819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).