4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline

C19H17FN4O — CID 57403377

IUPAC4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(C(F)c3ccncc3)c2c1
InChIInChI=1S/C19H17FN4O/c1-10-8-13(25-3)9-14-16(17(20)12-4-6-21-7-5-12)15-11(2)23-24-19(15)22-18(10)14/h4-9,17H,1-3H3,(H,22,23,24)
InChIKeyKPCVLACNFAKGBK-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.19
Rot. Bonds3

About 4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline

4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline (PubChem CID 57403377) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
PubChem CID57403377
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(C(F)c3ccncc3)c2c1
InChIInChI=1S/C19H17FN4O/c1-10-8-13(25-3)9-14-16(17(20)12-4-6-21-7-5-12)15-11(2)23-24-19(15)22-18(10)14/h4-9,17H,1-3H3,(H,22,23,24)
InChIKeyKPCVLACNFAKGBK-UHFFFAOYSA-N
XLogP4.19
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
The IUPAC name of 4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline (CID 57403377) is 4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
The canonical SMILES for 4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline is COc1cc(C)c2nc3n[nH]c(C)c3c(C(F)c3ccncc3)c2c1.
What is the InChIKey of 4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
The InChIKey is KPCVLACNFAKGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-10-8-13(25-3)9-14-16(17(20)12-4-6-21-7-5-12)15-11(2)23-24-19(15)22-18(10)14/h4-9,17H,1-3H3,(H,22,23,24).
What are the key properties of 4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline has a molecular weight of 336.37 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 57403377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).