(2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol

C19H17FN4O2 — CID 57402038

IUPAC(2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(C(O)c3ccnc(F)c3)c2c1
InChIInChI=1S/C19H17FN4O2/c1-9-6-12(26-3)8-13-16(18(25)11-4-5-21-14(20)7-11)15-10(2)23-24-19(15)22-17(9)13/h4-8,18,25H,1-3H3,(H,22,23,24)
InChIKeySPTLTOMHDUZGDO-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.35
Rot. Bonds3

About (2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol

(2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol (PubChem CID 57402038) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is (2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol
PubChem CID57402038
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name(2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(C(O)c3ccnc(F)c3)c2c1
InChIInChI=1S/C19H17FN4O2/c1-9-6-12(26-3)8-13-16(18(25)11-4-5-21-14(20)7-11)15-10(2)23-24-19(15)22-17(9)13/h4-8,18,25H,1-3H3,(H,22,23,24)
InChIKeySPTLTOMHDUZGDO-UHFFFAOYSA-N
XLogP3.35
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol?
The IUPAC name of (2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol (CID 57402038) is (2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol.
What is the SMILES notation for (2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol?
The canonical SMILES for (2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol is COc1cc(C)c2nc3n[nH]c(C)c3c(C(O)c3ccnc(F)c3)c2c1.
What is the InChIKey of (2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol?
The InChIKey is SPTLTOMHDUZGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-9-6-12(26-3)8-13-16(18(25)11-4-5-21-14(20)7-11)15-10(2)23-24-19(15)22-17(9)13/h4-8,18,25H,1-3H3,(H,22,23,24).
What are the key properties of (2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol?
(2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol has a molecular weight of 352.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol is sourced from PubChem (CID 57402038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).