4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol

C29H39FN8O — CID 155708049

About 4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol

4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol (PubChem CID 155708049) has the molecular formula C29H39FN8O and a molecular weight of 534.68 g/mol. Its IUPAC name is 4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol.

Molecular Properties

• Compound Name: 4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol
• PubChem CID: 155708049
• Molecular Formula: C29H39FN8O
• Molecular Weight: 534.68 g/mol
• Exact Mass: 534.32
• IUPAC Name: 4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol
• SMILES: CC1CN(c2ccc(C#N)n3ncc(F)c23)CC2CN(CCc3ccc(N4CCC(N)C4)cc3)CCN12.CO
• InChI: InChI=1S/C28H35FN8.CH4O/c1-20-16-35(27-7-6-24(14-30)37-28(27)26(29)15-32-37)19-25-18-33(12-13-36(20)25)10-8-21-2-4-23(5-3-21)34-11-9-22(31)17-34;1-2/h2-7,15,20,22,25H,8-13,16-19,31H2,1H3;2H,1H3
• InChIKey: WQTLIXLVUCAUGI-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 100.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.68
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol?

The IUPAC name of 4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol (CID 155708049) is 4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol.

What is the SMILES notation for 4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol?

The canonical SMILES for 4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol is CC1CN(c2ccc(C#N)n3ncc(F)c23)CC2CN(CCc3ccc(N4CCC(N)C4)cc3)CCN12.CO.

What is the InChIKey of 4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol?

The InChIKey is WQTLIXLVUCAUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN8.CH4O/c1-20-16-35(27-7-6-24(14-30)37-28(27)26(29)15-32-37)19-25-18-33(12-13-36(20)25)10-8-21-2-4-23(5-3-21)34-11-9-22(31)17-34;1-2/h2-7,15,20,22,25H,8-13,16-19,31H2,1H3;2H,1H3.

What are the key properties of 4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol?

4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol has a molecular weight of 534.68 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[2-[4-(3-aminopyrrolidin-1-yl)phenyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;methanol is sourced from PubChem (CID 155708049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).