6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide

C43H44FN11O6 — CID 176629395

IUPAC6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(C(=O)NCCCCCCc3ccc4c(c3)n(C)c(=O)n4C3CCC(=O)NC3=O)cn2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C43H44FN11O6/c1-45-41(58)29-24-48-36(20-31(29)51-30-11-8-10-28(38(30)61-3)39-49-22-27(44)23-50-39)52-35-16-13-26(21-47-35)40(57)46-18-7-5-4-6-9-25-12-14-32-34(19-25)54(2)43(60)55(32)33-15-17-37(56)53-42(33)59/h8,10-14,16,19-24,33H,4-7,9,15,17-18H2,1-3H3,(H,45,58)(H,46,57)(H,53,56,59)(H2,47,48,51,52)
InChIKeyFUZAWFHMRJOQDL-UHFFFAOYSA-N
MW829.89 g/mol
LogP5.09
Rot. Bonds16

About 6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide

6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide (PubChem CID 176629395) has the molecular formula C43H44FN11O6 and a molecular weight of 829.89 g/mol. Its IUPAC name is 6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
PubChem CID176629395
Molecular FormulaC43H44FN11O6
Molecular Weight829.89 g/mol
Exact Mass829.35
IUPAC Name6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(C(=O)NCCCCCCc3ccc4c(c3)n(C)c(=O)n4C3CCC(=O)NC3=O)cn2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C43H44FN11O6/c1-45-41(58)29-24-48-36(20-31(29)51-30-11-8-10-28(38(30)61-3)39-49-22-27(44)23-50-39)52-35-16-13-26(21-47-35)40(57)46-18-7-5-4-6-9-25-12-14-32-34(19-25)54(2)43(60)55(32)33-15-17-37(56)53-42(33)59/h8,10-14,16,19-24,33H,4-7,9,15,17-18H2,1-3H3,(H,45,58)(H,46,57)(H,53,56,59)(H2,47,48,51,52)
InChIKeyFUZAWFHMRJOQDL-UHFFFAOYSA-N
XLogP5.09
TPSA216.15 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500829.89
LogP ≤ 55.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-[[4-[8-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]octylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
CID 176629304
butyl N-[7-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]heptyl]carbamate
CID 174216125
6-[4-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]butylcarbamoyl]phenyl]-N-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 176629388
2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]acetic acid
CID 155189429
3-[3-methyl-5-[2-[3-(methylamino)propoxy]ethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138694132
3-[5-(5-aminopentyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 172915587
CID 170673520
CID 170673520
N-[3-(difluoromethyl)-1-[4-[4-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]butoxy]butylcarbamoyl]phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138728396
4-anilino-6-[5-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]butylcarbamoyl]-2-pyridinyl]-7-methoxy-N-methylquinoline-3-carboxamide
CID 147175922
4-anilino-6-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]octylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide
CID 149051432
3-[5-[3-(3-aminopropoxy)propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138694549
6-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]acetyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 175446356

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide (CID 176629395) is 6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(C(=O)NCCCCCCc3ccc4c(c3)n(C)c(=O)n4C3CCC(=O)NC3=O)cn2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC.
What is the InChIKey of 6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
The InChIKey is FUZAWFHMRJOQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44FN11O6/c1-45-41(58)29-24-48-36(20-31(29)51-30-11-8-10-28(38(30)61-3)39-49-22-27(44)23-50-39)52-35-16-13-26(21-47-35)40(57)46-18-7-5-4-6-9-25-12-14-32-34(19-25)54(2)43(60)55(32)33-15-17-37(56)53-42(33)59/h8,10-14,16,19-24,33H,4-7,9,15,17-18H2,1-3H3,(H,45,58)(H,46,57)(H,53,56,59)(H2,47,48,51,52).
What are the key properties of 6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide has a molecular weight of 829.89 g/mol, XLogP of 5.09, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[6-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]hexylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 176629395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).