3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

C24H23F2N7 — CID 167483379

About 3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 167483379) has the molecular formula C24H23F2N7 and a molecular weight of 447.49 g/mol. Its IUPAC name is 3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

• Compound Name: 3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
• PubChem CID: 167483379
• Molecular Formula: C24H23F2N7
• Molecular Weight: 447.49 g/mol
• Exact Mass: 447.20
• IUPAC Name: 3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
• SMILES: C[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)Cc2c3cc(F)c(C4CCNCC4)cc3nn21
• InChI: InChI=1S/C24H23F2N7/c1-14-12-31(22-3-2-16(10-27)33-24(22)20(26)11-29-33)13-23-18-8-19(25)17(9-21(18)30-32(14)23)15-4-6-28-7-5-15/h2-3,8-9,11,14-15,28H,4-7,12-13H2,1H3/t14-/m1/s1
• InChIKey: XVUSCVFWRRMFBB-CQSZACIVSA-N
• XLogP: 3.88
• TPSA: 74.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.49
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?

The IUPAC name of 3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 167483379) is 3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

What is the SMILES notation for 3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?

The canonical SMILES for 3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is C[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)Cc2c3cc(F)c(C4CCNCC4)cc3nn21.

What is the InChIKey of 3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?

The InChIKey is XVUSCVFWRRMFBB-CQSZACIVSA-N. The full InChI is InChI=1S/C24H23F2N7/c1-14-12-31(22-3-2-16(10-27)33-24(22)20(26)11-29-33)13-23-18-8-19(25)17(9-21(18)30-32(14)23)15-4-6-28-7-5-15/h2-3,8-9,11,14-15,28H,4-7,12-13H2,1H3/t14-/m1/s1.

What are the key properties of 3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?

3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 447.49 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-[(4R)-9-fluoro-4-methyl-8-piperidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 167483379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).