1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol

C18H19N5O — CID 158486828

IUPAC1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc2c(n1)c(N)nc1cc(C3=CC=NC3)ccc12
InChIInChI=1S/C18H19N5O/c1-18(2,24)10-23-9-14-13-4-3-11(12-5-6-20-8-12)7-15(13)21-17(19)16(14)22-23/h3-7,9,24H,8,10H2,1-2H3,(H2,19,21)
InChIKeyHIEVMMCRZMRTOW-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.41
Rot. Bonds3

About 1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol

1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol (PubChem CID 158486828) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol
PubChem CID158486828
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc2c(n1)c(N)nc1cc(C3=CC=NC3)ccc12
InChIInChI=1S/C18H19N5O/c1-18(2,24)10-23-9-14-13-4-3-11(12-5-6-20-8-12)7-15(13)21-17(19)16(14)22-23/h3-7,9,24H,8,10H2,1-2H3,(H2,19,21)
InChIKeyHIEVMMCRZMRTOW-UHFFFAOYSA-N
XLogP2.41
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol (CID 158486828) is 1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc2c(n1)c(N)nc1cc(C3=CC=NC3)ccc12.
What is the InChIKey of 1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol?
The InChIKey is HIEVMMCRZMRTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-18(2,24)10-23-9-14-13-4-3-11(12-5-6-20-8-12)7-15(13)21-17(19)16(14)22-23/h3-7,9,24H,8,10H2,1-2H3,(H2,19,21).
What are the key properties of 1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol?
1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol has a molecular weight of 321.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 158486828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).