N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

C43H44N10O8 — CID 138727311

IUPACN-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCN(CCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)Cc1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(N)=O)n2)cc1
InChIInChI=1S/C43H44N10O8/c1-51(17-19-60-18-3-5-27-4-2-6-30-36(27)43(59)53(42(30)58)33-13-14-35(54)49-40(33)57)22-26-9-11-29(12-10-26)52-23-31(37(50-52)38(44)55)47-39(56)32-24-61-41(48-32)28-15-16-45-34(20-28)46-21-25-7-8-25/h2,4,6,9-12,15-16,20,23-25,33H,3,5,7-8,13-14,17-19,21-22H2,1H3,(H2,44,55)(H,45,46)(H,47,56)(H,49,54,57)
InChIKeyXTPZACBHGSKXJI-UHFFFAOYSA-N
MW828.89 g/mol
LogP3.58
Rot. Bonds18

About N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 138727311) has the molecular formula C43H44N10O8 and a molecular weight of 828.89 g/mol. Its IUPAC name is N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID138727311
Molecular FormulaC43H44N10O8
Molecular Weight828.89 g/mol
Exact Mass828.33
IUPAC NameN-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCN(CCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)Cc1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(N)=O)n2)cc1
InChIInChI=1S/C43H44N10O8/c1-51(17-19-60-18-3-5-27-4-2-6-30-36(27)43(59)53(42(30)58)33-13-14-35(54)49-40(33)57)22-26-9-11-29(12-10-26)52-23-31(37(50-52)38(44)55)47-39(56)32-24-61-41(48-32)28-15-16-45-34(20-28)46-21-25-7-8-25/h2,4,6,9-12,15-16,20,23-25,33H,3,5,7-8,13-14,17-19,21-22H2,1H3,(H2,44,55)(H,45,46)(H,47,56)(H,49,54,57)
InChIKeyXTPZACBHGSKXJI-UHFFFAOYSA-N
XLogP3.58
TPSA236.98 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.89
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (CID 138727311) is N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is CN(CCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)Cc1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(N)=O)n2)cc1.
What is the InChIKey of N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is XTPZACBHGSKXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44N10O8/c1-51(17-19-60-18-3-5-27-4-2-6-30-36(27)43(59)53(42(30)58)33-13-14-35(54)49-40(33)57)22-26-9-11-29(12-10-26)52-23-31(37(50-52)38(44)55)47-39(56)32-24-61-41(48-32)28-15-16-45-34(20-28)46-21-25-7-8-25/h2,4,6,9-12,15-16,20,23-25,33H,3,5,7-8,13-14,17-19,21-22H2,1H3,(H2,44,55)(H,45,46)(H,47,56)(H,49,54,57).
What are the key properties of N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 828.89 g/mol, XLogP of 3.58, 18 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138727311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).