6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine

C24H23FN6O — CID 162672757

IUPAC6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C24H23FN6O/c1-29-13-17-9-16(29)14-30(17)22-7-4-8-23(28-22)31-20-10-19(26-11-15(20)12-27-31)24-18(25)5-3-6-21(24)32-2/h3-8,10-12,16-17H,9,13-14H2,1-2H3/t16-,17-/m0/s1
InChIKeyVNTBVLDPYQQQNX-IRXDYDNUSA-N
MW430.49 g/mol
LogP3.52
Rot. Bonds4

About 6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine

6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine (PubChem CID 162672757) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine
PubChem CID162672757
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C24H23FN6O/c1-29-13-17-9-16(29)14-30(17)22-7-4-8-23(28-22)31-20-10-19(26-11-15(20)12-27-31)24-18(25)5-3-6-21(24)32-2/h3-8,10-12,16-17H,9,13-14H2,1-2H3/t16-,17-/m0/s1
InChIKeyVNTBVLDPYQQQNX-IRXDYDNUSA-N
XLogP3.52
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.52
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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine (CID 162672757) is 6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine is COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2C[C@@H]3C[C@H]2CN3C)n1.
What is the InChIKey of 6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine?
The InChIKey is VNTBVLDPYQQQNX-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-29-13-17-9-16(29)14-30(17)22-7-4-8-23(28-22)31-20-10-19(26-11-15(20)12-27-31)24-18(25)5-3-6-21(24)32-2/h3-8,10-12,16-17H,9,13-14H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of 6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine?
6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine has a molecular weight of 430.49 g/mol, XLogP of 3.52, 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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 162672757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).