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

C22H20N6O — CID 155679561

IUPAC2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCCOc3ccccc3)nc12
InChIInChI=1S/C22H20N6O/c23-22-21-18(14-28(27-21)11-4-12-29-16-5-2-1-3-6-16)17-8-7-15(13-20(17)25-22)19-9-10-24-26-19/h1-3,5-10,13-14H,4,11-12H2,(H2,23,25)(H,24,26)
InChIKeyFCKVVJZKZZTTHZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.03
Rot. Bonds6

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

2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 155679561) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine
PubChem CID155679561
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCCOc3ccccc3)nc12
InChIInChI=1S/C22H20N6O/c23-22-21-18(14-28(27-21)11-4-12-29-16-5-2-1-3-6-16)17-8-7-15(13-20(17)25-22)19-9-10-24-26-19/h1-3,5-10,13-14H,4,11-12H2,(H2,23,25)(H,24,26)
InChIKeyFCKVVJZKZZTTHZ-UHFFFAOYSA-N
XLogP4.03
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine
CID 158554210
7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
CID 155679567
4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one
CID 159117214
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethanol
CID 155679543
N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide
CID 175628035
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide
CID 160576900
2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 170384732
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide
CID 157134726
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide
CID 175625447
2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride
CID 159176829
2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 159577972
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide
CID 157058511

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine (CID 155679561) is 2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine is Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCCOc3ccccc3)nc12.
What is the InChIKey of 2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is FCKVVJZKZZTTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c23-22-21-18(14-28(27-21)11-4-12-29-16-5-2-1-3-6-16)17-8-7-15(13-20(17)25-22)19-9-10-24-26-19/h1-3,5-10,13-14H,4,11-12H2,(H2,23,25)(H,24,26).
What are the key properties of 2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine?
2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 384.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 155679561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).