3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

C25H29FN8O — CID 146442921

About 3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile

3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 146442921) has the molecular formula C25H29FN8O and a molecular weight of 476.56 g/mol. Its IUPAC name is 3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

• Compound Name: 3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
• PubChem CID: 146442921
• Molecular Formula: C25H29FN8O
• Molecular Weight: 476.56 g/mol
• Exact Mass: 476.24
• IUPAC Name: 3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
• SMILES: C[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)C[C@H](CN2Cc3cc(N4CCNCC4)cnc3C2)O1
• InChI: InChI=1S/C25H29FN8O/c1-17-12-33(24-3-2-19(9-27)34-25(24)22(26)11-30-34)15-21(35-17)14-31-13-18-8-20(10-29-23(18)16-31)32-6-4-28-5-7-32/h2-3,8,10-11,17,21,28H,4-7,12-16H2,1H3/t17-,21+/m1/s1
• InChIKey: NPQAWCQUKLPASZ-UTKZUKDTSA-N
• XLogP: 1.76
• TPSA: 84.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.56
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?

The IUPAC name of 3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 146442921) is 3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile.

What is the SMILES notation for 3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?

The canonical SMILES for 3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is C[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)C[C@H](CN2Cc3cc(N4CCNCC4)cnc3C2)O1.

What is the InChIKey of 3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?

The InChIKey is NPQAWCQUKLPASZ-UTKZUKDTSA-N. The full InChI is InChI=1S/C25H29FN8O/c1-17-12-33(24-3-2-19(9-27)34-25(24)22(26)11-30-34)15-21(35-17)14-31-13-18-8-20(10-29-23(18)16-31)32-6-4-28-5-7-32/h2-3,8,10-11,17,21,28H,4-7,12-16H2,1H3/t17-,21+/m1/s1.

What are the key properties of 3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile?

3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 476.56 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-[(2R,6S)-2-methyl-6-[(3-piperazin-1-yl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 146442921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).