[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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;formic acid

C68H68F4N14O8 — CID 154943331

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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;formic acid (PubChem CID 154943331) has the molecular formula C68H68F4N14O8 and a molecular weight of 1285.37 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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;formic acid
• PubChem CID: 154943331
• Molecular Formula: C68H68F4N14O8
• Molecular Weight: 1285.37 g/mol
• Exact Mass: 1284.53
• 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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;formic acid
• SMILES: Cc1cc(Nc2nccn3c(-c4ccc(Oc5ccccn5)c(F)c4F)cnc23)ccc1C(=O)N1CCC(CN(C(=O)O)C(C)(C)C)CC1.Cc1cc(Nc2nccn3c(-c4ccc(Oc5ccccn5)c(F)c4F)cnc23)ccc1C(=O)N1CCC(CN)CC1.O=CO
• InChI: InChI=1S/C36H37F2N7O4.C31H29F2N7O2.CH2O2/c1-22-19-24(8-9-25(22)34(46)43-16-12-23(13-17-43)21-45(35(47)48)36(2,3)4)42-32-33-41-20-27(44(33)18-15-40-32)26-10-11-28(31(38)30(26)37)49-29-7-5-6-14-39-29;1-19-16-21(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/h5-11,14-15,18-20,23H,12-13,16-17,21H2,1-4H3,(H,40,42)(H,47,48);2-8,11-12,15-16,18,20H,9-10,13-14,17,34H2,1H3,(H,36,38);1H,(H,2,3)
• InChIKey: UKUXDMQBOXOAIY-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 273.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1285.37
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;formic acid (CID 154943331) 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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;formic acid is Cc1cc(Nc2nccn3c(-c4ccc(Oc5ccccn5)c(F)c4F)cnc23)ccc1C(=O)N1CCC(CN(C(=O)O)C(C)(C)C)CC1.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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;formic acid?

The InChIKey is UKUXDMQBOXOAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37F2N7O4.C31H29F2N7O2.CH2O2/c1-22-19-24(8-9-25(22)34(46)43-16-12-23(13-17-43)21-45(35(47)48)36(2,3)4)42-32-33-41-20-27(44(33)18-15-40-32)26-10-11-28(31(38)30(26)37)49-29-7-5-6-14-39-29;1-19-16-21(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/h5-11,14-15,18-20,23H,12-13,16-17,21H2,1-4H3,(H,40,42)(H,47,48);2-8,11-12,15-16,18,20H,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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;formic acid has a molecular weight of 1285.37 g/mol, XLogP of 12.97, 15 rotatable bonds, 5 hydrogen bond donors, and 17 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;tert-butyl-[[1-[4-[[3-(2,3-difluoro-4-pyridin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamic acid;formic acid is sourced from PubChem (CID 154943331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).