6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline

C19H16F2N4O — CID 22320209

IUPAC6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
SMILESCc1nn(-c2ccccn2)c2nc3cc(F)c(F)cc3c(OC(C)C)c12
InChIInChI=1S/C19H16F2N4O/c1-10(2)26-18-12-8-13(20)14(21)9-15(12)23-19-17(18)11(3)24-25(19)16-6-4-5-7-22-16/h4-10H,1-3H3
InChIKeyAHHSQTZIDPZZIA-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.34
Rot. Bonds3

About 6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline

6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline (PubChem CID 22320209) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
PubChem CID22320209
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
SMILESCc1nn(-c2ccccn2)c2nc3cc(F)c(F)cc3c(OC(C)C)c12
InChIInChI=1S/C19H16F2N4O/c1-10(2)26-18-12-8-13(20)14(21)9-15(12)23-19-17(18)11(3)24-25(19)16-6-4-5-7-22-16/h4-10H,1-3H3
InChIKeyAHHSQTZIDPZZIA-UHFFFAOYSA-N
XLogP4.34
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The IUPAC name of 6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline (CID 22320209) is 6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline.
What is the SMILES notation for 6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The canonical SMILES for 6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline is Cc1nn(-c2ccccn2)c2nc3cc(F)c(F)cc3c(OC(C)C)c12.
What is the InChIKey of 6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The InChIKey is AHHSQTZIDPZZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-10(2)26-18-12-8-13(20)14(21)9-15(12)23-19-17(18)11(3)24-25(19)16-6-4-5-7-22-16/h4-10H,1-3H3.
What are the key properties of 6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline has a molecular weight of 354.36 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline is sourced from PubChem (CID 22320209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).