3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol

C19H23N7O2 — CID 175628283

IUPAC3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol
SMILESCC(CC(O)NCCO)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C19H23N7O2/c1-11(8-17(28)21-6-7-27)26-10-14-18(25-26)13-3-2-12(15-4-5-22-24-15)9-16(13)23-19(14)20/h2-5,9-11,17,21,27-28H,6-8H2,1H3,(H2,20,23)(H,22,24)
InChIKeyQEHHXDOTTCSCNK-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.41
Rot. Bonds7

About 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol

3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol (PubChem CID 175628283) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol.

Molecular Properties

Compound Name3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol
PubChem CID175628283
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol
SMILESCC(CC(O)NCCO)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C19H23N7O2/c1-11(8-17(28)21-6-7-27)26-10-14-18(25-26)13-3-2-12(15-4-5-22-24-15)9-16(13)23-19(14)20/h2-5,9-11,17,21,27-28H,6-8H2,1H3,(H2,20,23)(H,22,24)
InChIKeyQEHHXDOTTCSCNK-UHFFFAOYSA-N
XLogP1.41
TPSA137.90 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethanol
CID 155679543
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide
CID 170386660
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 175627878
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide
CID 159427333
1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol
CID 175628234
N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide
CID 170386842
N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-ethoxyacetamide
CID 148927769
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide
CID 160887077
2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 159577972
2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 170384732
N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-4-fluoropyridine-2-carboxamide
CID 147457510
3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138584377

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol?
The IUPAC name of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol (CID 175628283) is 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol.
What is the SMILES notation for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol?
The canonical SMILES for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol is CC(CC(O)NCCO)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.
What is the InChIKey of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol?
The InChIKey is QEHHXDOTTCSCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-11(8-17(28)21-6-7-27)26-10-14-18(25-26)13-3-2-12(15-4-5-22-24-15)9-16(13)23-19(14)20/h2-5,9-11,17,21,27-28H,6-8H2,1H3,(H2,20,23)(H,22,24).
What are the key properties of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol?
3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol has a molecular weight of 381.44 g/mol, XLogP of 1.41, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-(2-hydroxyethylamino)butan-1-ol is sourced from PubChem (CID 175628283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).