3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

C23H23FN8 — CID 167483313

IUPAC3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)Cc2c3cnc(C4CCNCC4)cc3nn21
InChIInChI=1S/C23H23FN8/c1-14-12-30(21-3-2-16(9-25)32-23(21)18(24)11-28-32)13-22-17-10-27-19(8-20(17)29-31(14)22)15-4-6-26-7-5-15/h2-3,8,10-11,14-15,26H,4-7,12-13H2,1H3/t14-/m1/s1
InChIKeyRZISJELSDBUYJM-CQSZACIVSA-N
MW430.49 g/mol
LogP3.14
Rot. Bonds2

About 3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 167483313) has the molecular formula C23H23FN8 and a molecular weight of 430.49 g/mol. Its IUPAC name is 3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID167483313
Molecular FormulaC23H23FN8
Molecular Weight430.49 g/mol
Exact Mass430.20
IUPAC Name3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)Cc2c3cnc(C4CCNCC4)cc3nn21
InChIInChI=1S/C23H23FN8/c1-14-12-30(21-3-2-16(9-25)32-23(21)18(24)11-28-32)13-22-17-10-27-19(8-20(17)29-31(14)22)15-4-6-26-7-5-15/h2-3,8,10-11,14-15,26H,4-7,12-13H2,1H3/t14-/m1/s1
InChIKeyRZISJELSDBUYJM-CQSZACIVSA-N
XLogP3.14
TPSA87.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 167483313) is 3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is C[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)Cc2c3cnc(C4CCNCC4)cc3nn21.
What is the InChIKey of 3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is RZISJELSDBUYJM-CQSZACIVSA-N. The full InChI is InChI=1S/C23H23FN8/c1-14-12-30(21-3-2-16(9-25)32-23(21)18(24)11-28-32)13-22-17-10-27-19(8-20(17)29-31(14)22)15-4-6-26-7-5-15/h2-3,8,10-11,14-15,26H,4-7,12-13H2,1H3/t14-/m1/s1.
What are the key properties of 3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?
3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 430.49 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(6R)-6-methyl-11-piperidin-4-yl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 167483313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).