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

C23H22FN7O — CID 167483407

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

3-fluoro-4-[(4R)-4-methyl-8-[(2R)-morpholin-2-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 167483407) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 3-fluoro-4-[(4R)-4-methyl-8-[(2R)-morpholin-2-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)-4-methyl-8-[(2R)-morpholin-2-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
• PubChem CID: 167483407
• Molecular Formula: C23H22FN7O
• Molecular Weight: 431.48 g/mol
• Exact Mass: 431.19
• IUPAC Name: 3-fluoro-4-[(4R)-4-methyl-8-[(2R)-morpholin-2-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)Cc2c3ccc([C@@H]4CNCCO4)cc3nn21
• InChI: InChI=1S/C23H22FN7O/c1-14-12-29(20-5-3-16(9-25)31-23(20)18(24)10-27-31)13-21-17-4-2-15(8-19(17)28-30(14)21)22-11-26-6-7-32-22/h2-5,8,10,14,22,26H,6-7,11-13H2,1H3/t14-,22+/m1/s1
• InChIKey: DOYOUMKBXXPTGQ-PEBXRYMYSA-N
• XLogP: 2.94
• TPSA: 83.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.48
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4R)-4-methyl-8-[(2R)-morpholin-2-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)-4-methyl-8-[(2R)-morpholin-2-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 167483407) is 3-fluoro-4-[(4R)-4-methyl-8-[(2R)-morpholin-2-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)-4-methyl-8-[(2R)-morpholin-2-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)-4-methyl-8-[(2R)-morpholin-2-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)Cc2c3ccc([C@@H]4CNCCO4)cc3nn21.

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

The InChIKey is DOYOUMKBXXPTGQ-PEBXRYMYSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-14-12-29(20-5-3-16(9-25)31-23(20)18(24)10-27-31)13-21-17-4-2-15(8-19(17)28-30(14)21)22-11-26-6-7-32-22/h2-5,8,10,14,22,26H,6-7,11-13H2,1H3/t14-,22+/m1/s1.

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

3-fluoro-4-[(4R)-4-methyl-8-[(2R)-morpholin-2-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 431.48 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-[(4R)-4-methyl-8-[(2R)-morpholin-2-yl]-3,4-dihydro-1H-pyrazino[1,2-b]indazol-2-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 167483407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).