[4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid

C32H31F2N7O4 — CID 154943152

About [4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid

[4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid (PubChem CID 154943152) has the molecular formula C32H31F2N7O4 and a molecular weight of 615.64 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid.

Molecular Properties

• Compound Name: [4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid
• PubChem CID: 154943152
• Molecular Formula: C32H31F2N7O4
• Molecular Weight: 615.64 g/mol
• Exact Mass: 615.24
• IUPAC Name: [4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid
• SMILES: Cc1cc(Nc2nccn3c(-c4ccc(Oc5ccccn5)c(F)c4F)cnc23)ccc1C(=O)N1CCC(CN)CC1.O=CO
• InChI: InChI=1S/C31H29F2N7O2.CH2O2/c1-19-16-21(5-6-22(19)31(41)39-13-9-20(17-34)10-14-39)38-29-30-37-18-24(40(30)15-12-36-29)23-7-8-25(28(33)27(23)32)42-26-4-2-3-11-35-26;2-1-3/h2-8,11-12,15-16,18,20H,9-10,13-14,17,34H2,1H3,(H,36,38);1H,(H,2,3)
• InChIKey: HISNUCKDIWCOTL-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 147.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.64
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid?

The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid (CID 154943152) is [4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid.

What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid?

The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid is Cc1cc(Nc2nccn3c(-c4ccc(Oc5ccccn5)c(F)c4F)cnc23)ccc1C(=O)N1CCC(CN)CC1.O=CO.

What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid?

The InChIKey is HISNUCKDIWCOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F2N7O2.CH2O2/c1-19-16-21(5-6-22(19)31(41)39-13-9-20(17-34)10-14-39)38-29-30-37-18-24(40(30)15-12-36-29)23-7-8-25(28(33)27(23)32)42-26-4-2-3-11-35-26;2-1-3/h2-8,11-12,15-16,18,20H,9-10,13-14,17,34H2,1H3,(H,36,38);1H,(H,2,3).

What are the key properties of [4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid?

[4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid has a molecular weight of 615.64 g/mol, XLogP of 5.43, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(aminomethyl)piperidin-1-yl]-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]methanone;formic acid is sourced from PubChem (CID 154943152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).