N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate

C51H46Cl2F6N10O6 — CID 159263887

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
SMILESCc1cc(N)nc(C)c1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F
InChIInChI=1S/C28H27ClF3N5O4.C23H19ClF3N5O2/c1-14-8-21(36-26(39)41-27(3,4)5)35-15(2)19(14)13-34-25(38)23-24(28(30,31)32)37-22(40-23)10-16-6-7-20-17(9-16)11-18(29)12-33-20;1-11-5-18(28)31-12(2)16(11)10-30-22(33)20-21(23(25,26)27)32-19(34-20)7-13-3-4-17-14(6-13)8-15(24)9-29-17/h6-9,11-12H,10,13H2,1-5H3,(H,34,38)(H,35,36,39);3-6,8-9H,7,10H2,1-2H3,(H2,28,31)(H,30,33)
InChIKeyKWVVHUJPLXISRH-UHFFFAOYSA-N
MW1079.89 g/mol
LogP11.78
Rot. Bonds11

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate (PubChem CID 159263887) has the molecular formula C51H46Cl2F6N10O6 and a molecular weight of 1079.89 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
PubChem CID159263887
Molecular FormulaC51H46Cl2F6N10O6
Molecular Weight1079.89 g/mol
Exact Mass1078.29
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
SMILESCc1cc(N)nc(C)c1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F
InChIInChI=1S/C28H27ClF3N5O4.C23H19ClF3N5O2/c1-14-8-21(36-26(39)41-27(3,4)5)35-15(2)19(14)13-34-25(38)23-24(28(30,31)32)37-22(40-23)10-16-6-7-20-17(9-16)11-18(29)12-33-20;1-11-5-18(28)31-12(2)16(11)10-30-22(33)20-21(23(25,26)27)32-19(34-20)7-13-3-4-17-14(6-13)8-15(24)9-29-17/h6-9,11-12H,10,13H2,1-5H3,(H,34,38)(H,35,36,39);3-6,8-9H,7,10H2,1-2H3,(H2,28,31)(H,30,33)
InChIKeyKWVVHUJPLXISRH-UHFFFAOYSA-N
XLogP11.78
TPSA226.17 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001079.89
LogP ≤ 511.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate 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

US10301284, Example 37
CID 134178522
US10301284, Example 114
CID 134178172
US10301284, Example 88
CID 134178599
US10301284, Example 90
CID 134178649
US10301284, Example 87
CID 134178781
tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethylpyridin-2-yl]carbamate
CID 134178235
[5-[[[2-[(3-Chloro-8-fluoroquinolin-6-yl)methyl]-4-(hydroxymethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid
CID 139329875
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide
CID 139329897
N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 139329998
N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(difluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330006
N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(difluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330009
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(fluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330021

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate (CID 159263887) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate is Cc1cc(N)nc(C)c1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate?
The InChIKey is KWVVHUJPLXISRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClF3N5O4.C23H19ClF3N5O2/c1-14-8-21(36-26(39)41-27(3,4)5)35-15(2)19(14)13-34-25(38)23-24(28(30,31)32)37-22(40-23)10-16-6-7-20-17(9-16)11-18(29)12-33-20;1-11-5-18(28)31-12(2)16(11)10-30-22(33)20-21(23(25,26)27)32-19(34-20)7-13-3-4-17-14(6-13)8-15(24)9-29-17/h6-9,11-12H,10,13H2,1-5H3,(H,34,38)(H,35,36,39);3-6,8-9H,7,10H2,1-2H3,(H2,28,31)(H,30,33).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate has a molecular weight of 1079.89 g/mol, XLogP of 11.78, 11 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;tert-butyl N-[5-[[[2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate is sourced from PubChem (CID 159263887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).