6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine

C25H25FN6O — CID 162676346

IUPAC6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC3CCC(C2)N3C)n1
InChIInChI=1S/C25H25FN6O/c1-30-17-9-10-18(30)15-31(14-17)23-7-4-8-24(29-23)32-21-11-20(27-12-16(21)13-28-32)25-19(26)5-3-6-22(25)33-2/h3-8,11-13,17-18H,9-10,14-15H2,1-2H3
InChIKeyCDEQFDSQRKTMBV-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.91
Rot. Bonds4

About 6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine

6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine (PubChem CID 162676346) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is 6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine
PubChem CID162676346
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC3CCC(C2)N3C)n1
InChIInChI=1S/C25H25FN6O/c1-30-17-9-10-18(30)15-31(14-17)23-7-4-8-24(29-23)32-21-11-20(27-12-16(21)13-28-32)25-19(26)5-3-6-22(25)33-2/h3-8,11-13,17-18H,9-10,14-15H2,1-2H3
InChIKeyCDEQFDSQRKTMBV-UHFFFAOYSA-N
XLogP3.91
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine (CID 162676346) is 6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine is COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC3CCC(C2)N3C)n1.
What is the InChIKey of 6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine?
The InChIKey is CDEQFDSQRKTMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-30-17-9-10-18(30)15-31(14-17)23-7-4-8-24(29-23)32-21-11-20(27-12-16(21)13-28-32)25-19(26)5-3-6-22(25)33-2/h3-8,11-13,17-18H,9-10,14-15H2,1-2H3.
What are the key properties of 6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine?
6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine has a molecular weight of 444.51 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-6-methoxyphenyl)-1-[6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 162676346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).