4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide

C70H75FN12O9 — CID 146279892

IUPAC4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
SMILESCc1cc(C2=NOC(C)(Cc3cnc(N(C(=O)c4ccc(C5=NOC(C)(Cc6cnc(N(C(=O)c7ccc(C8=NOC(C)(C)C8=O)cc7F)C7CCCNC7)c(C)c6)C5=O)cc4)C4CCCNC4)c(C)c3)C2=O)ccc1C(=O)N(c1ncccc1C)C1CCCNC1
InChIInChI=1S/C70H75FN12O9/c1-40-13-9-28-75-62(40)82(51-15-11-26-73-38-51)66(88)53-23-21-48(31-41(53)2)58-61(86)70(8,92-80-58)34-44-29-42(3)63(76-35-44)81(50-14-10-25-72-37-50)65(87)47-19-17-46(18-20-47)56-60(85)69(7,91-79-56)33-45-30-43(4)64(77-36-45)83(52-16-12-27-74-39-52)67(89)54-24-22-49(32-55(54)71)57-59(84)68(5,6)90-78-57/h9,13,17-24,28-32,35-36,50-52,72-74H,10-12,14-16,25-27,33-34,37-39H2,1-8H3
InChIKeyAWJKOQGVEBQUHD-UHFFFAOYSA-N
MW1247.44 g/mol
LogP8.13
Rot. Bonds16

About 4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide

4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide (PubChem CID 146279892) has the molecular formula C70H75FN12O9 and a molecular weight of 1247.44 g/mol. Its IUPAC name is 4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
PubChem CID146279892
Molecular FormulaC70H75FN12O9
Molecular Weight1247.44 g/mol
Exact Mass1246.58
IUPAC Name4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
SMILESCc1cc(C2=NOC(C)(Cc3cnc(N(C(=O)c4ccc(C5=NOC(C)(Cc6cnc(N(C(=O)c7ccc(C8=NOC(C)(C)C8=O)cc7F)C7CCCNC7)c(C)c6)C5=O)cc4)C4CCCNC4)c(C)c3)C2=O)ccc1C(=O)N(c1ncccc1C)C1CCCNC1
InChIInChI=1S/C70H75FN12O9/c1-40-13-9-28-75-62(40)82(51-15-11-26-73-38-51)66(88)53-23-21-48(31-41(53)2)58-61(86)70(8,92-80-58)34-44-29-42(3)63(76-35-44)81(50-14-10-25-72-37-50)65(87)47-19-17-46(18-20-47)56-60(85)69(7,91-79-56)33-45-30-43(4)64(77-36-45)83(52-16-12-27-74-39-52)67(89)54-24-22-49(32-55(54)71)57-59(84)68(5,6)90-78-57/h9,13,17-24,28-32,35-36,50-52,72-74H,10-12,14-16,25-27,33-34,37-39H2,1-8H3
InChIKeyAWJKOQGVEBQUHD-UHFFFAOYSA-N
XLogP8.13
TPSA251.67 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001247.44
LogP ≤ 58.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide 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 4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide (CID 146279892) is 4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide is Cc1cc(C2=NOC(C)(Cc3cnc(N(C(=O)c4ccc(C5=NOC(C)(Cc6cnc(N(C(=O)c7ccc(C8=NOC(C)(C)C8=O)cc7F)C7CCCNC7)c(C)c6)C5=O)cc4)C4CCCNC4)c(C)c3)C2=O)ccc1C(=O)N(c1ncccc1C)C1CCCNC1.
What is the InChIKey of 4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide?
The InChIKey is AWJKOQGVEBQUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H75FN12O9/c1-40-13-9-28-75-62(40)82(51-15-11-26-73-38-51)66(88)53-23-21-48(31-41(53)2)58-61(86)70(8,92-80-58)34-44-29-42(3)63(76-35-44)81(50-14-10-25-72-37-50)65(87)47-19-17-46(18-20-47)56-60(85)69(7,91-79-56)33-45-30-43(4)64(77-36-45)83(52-16-12-27-74-39-52)67(89)54-24-22-49(32-55(54)71)57-59(84)68(5,6)90-78-57/h9,13,17-24,28-32,35-36,50-52,72-74H,10-12,14-16,25-27,33-34,37-39H2,1-8H3.
What are the key properties of 4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide?
4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide has a molecular weight of 1247.44 g/mol, XLogP of 8.13, 16 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 146279892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).