2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C44H53F2N11O4 — CID 170024617

About 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 170024617) has the molecular formula C44H53F2N11O4 and a molecular weight of 837.98 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
• PubChem CID: 170024617
• Molecular Formula: C44H53F2N11O4
• Molecular Weight: 837.98 g/mol
• Exact Mass: 837.43
• IUPAC Name: 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
• SMILES: CN(CC1CCC(n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(F)F)n2)CC1)C1CCN(Cc2cccc3c(C4CCC(=O)NC4=O)n(C)nc23)CC1
• InChI: InChI=1S/C44H53F2N11O4/c1-54(30-15-18-56(19-16-30)23-29-4-3-5-32-38(29)52-55(2)40(32)33-12-13-37(58)51-42(33)59)22-27-8-10-31(11-9-27)57-24-34(39(53-57)41(45)46)49-43(60)35-25-61-44(50-35)28-14-17-47-36(20-28)48-21-26-6-7-26/h3-5,14,17,20,24-27,30-31,33,41H,6-13,15-16,18-19,21-23H2,1-2H3,(H,47,48)(H,49,60)(H,51,58,59)
• InChIKey: ONGQJAUCVGZARB-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 168.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	837.98
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 170024617) is 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is CN(CC1CCC(n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(F)F)n2)CC1)C1CCN(Cc2cccc3c(C4CCC(=O)NC4=O)n(C)nc23)CC1.

What is the InChIKey of 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?

The InChIKey is ONGQJAUCVGZARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H53F2N11O4/c1-54(30-15-18-56(19-16-30)23-29-4-3-5-32-38(29)52-55(2)40(32)33-12-13-37(58)51-42(33)59)22-27-8-10-31(11-9-27)57-24-34(39(53-57)41(45)46)49-43(60)35-25-61-44(50-35)28-14-17-47-36(20-28)48-21-26-6-7-26/h3-5,14,17,20,24-27,30-31,33,41H,6-13,15-16,18-19,21-23H2,1-2H3,(H,47,48)(H,49,60)(H,51,58,59).

What are the key properties of 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?

2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 837.98 g/mol, XLogP of 6.68, 14 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[3-(2,6-dioxopiperidin-3-yl)-2-methylindazol-7-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170024617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).