N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

C69H58F9N15O7S2 — CID 123769635

IUPACN-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCCc1c(C)cc(C)cc1NC(=O)N1CC(=O)N(CCN(C)C(=O)c2sc(NC(=O)N3CC(=O)N(CCc4cnc(NC(=O)N5CC(=O)N(C)c6ccc(-c7cccc(C(F)(F)F)c7)nc65)s4)c4ccc(-c5cccc(C(F)(F)F)c5)nc43)nc2C)c2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C69H58F9N15O7S2/c1-7-46-37(3)27-36(2)28-50(46)84-64(98)92-35-56(96)90(53-22-19-49(83-60(53)92)41-13-10-16-44(31-41)69(76,77)78)26-25-87(5)61(97)57-38(4)80-63(102-57)86-66(100)93-34-55(95)89(52-21-18-48(82-59(52)93)40-12-9-15-43(30-40)68(73,74)75)24-23-45-32-79-62(101-45)85-65(99)91-33-54(94)88(6)51-20-17-47(81-58(51)91)39-11-8-14-42(29-39)67(70,71)72/h8-22,27-32H,7,23-26,33-35H2,1-6H3,(H,84,98)(H,79,85,99)(H,80,86,100)
InChIKeyIZJQVDNTAJGYCR-UHFFFAOYSA-N
MW1444.44 g/mol
LogP14.13
Rot. Bonds14

About N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 123769635) has the molecular formula C69H58F9N15O7S2 and a molecular weight of 1444.44 g/mol. Its IUPAC name is N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID123769635
Molecular FormulaC69H58F9N15O7S2
Molecular Weight1444.44 g/mol
Exact Mass1443.39
IUPAC NameN-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCCc1c(C)cc(C)cc1NC(=O)N1CC(=O)N(CCN(C)C(=O)c2sc(NC(=O)N3CC(=O)N(CCc4cnc(NC(=O)N5CC(=O)N(C)c6ccc(-c7cccc(C(F)(F)F)c7)nc65)s4)c4ccc(-c5cccc(C(F)(F)F)c5)nc43)nc2C)c2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C69H58F9N15O7S2/c1-7-46-37(3)27-36(2)28-50(46)84-64(98)92-35-56(96)90(53-22-19-49(83-60(53)92)41-13-10-16-44(31-41)69(76,77)78)26-25-87(5)61(97)57-38(4)80-63(102-57)86-66(100)93-34-55(95)89(52-21-18-48(82-59(52)93)40-12-9-15-43(30-40)68(73,74)75)24-23-45-32-79-62(101-45)85-65(99)91-33-54(94)88(6)51-20-17-47(81-58(51)91)39-11-8-14-42(29-39)67(70,71)72/h8-22,27-32H,7,23-26,33-35H2,1-6H3,(H,84,98)(H,79,85,99)(H,80,86,100)
InChIKeyIZJQVDNTAJGYCR-UHFFFAOYSA-N
XLogP14.13
TPSA242.71 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001444.44
LogP ≤ 514.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one
CID 162238513
N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124669
(3R,4R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-3-hydroxy-4-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 130437276
N-(4,5-dimethyl-1,3-thiazol-2-yl)-10-hydroxy-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 140675865
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233230
1-methyl-N-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 53233342
(9S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118968995
N-[3-[2-[(diaminomethylideneamino)methyl]-1,3-oxazol-5-yl]phenyl]-1-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 137401182
(9S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide
CID 118968983
N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
CID 67170840
N-[3-[7-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 59711821
N-(2-tert-butylphenyl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124695

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 123769635) is N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is CCc1c(C)cc(C)cc1NC(=O)N1CC(=O)N(CCN(C)C(=O)c2sc(NC(=O)N3CC(=O)N(CCc4cnc(NC(=O)N5CC(=O)N(C)c6ccc(-c7cccc(C(F)(F)F)c7)nc65)s4)c4ccc(-c5cccc(C(F)(F)F)c5)nc43)nc2C)c2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is IZJQVDNTAJGYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H58F9N15O7S2/c1-7-46-37(3)27-36(2)28-50(46)84-64(98)92-35-56(96)90(53-22-19-49(83-60(53)92)41-13-10-16-44(31-41)69(76,77)78)26-25-87(5)61(97)57-38(4)80-63(102-57)86-66(100)93-34-55(95)89(52-21-18-48(82-59(52)93)40-12-9-15-43(30-40)68(73,74)75)24-23-45-32-79-62(101-45)85-65(99)91-33-54(94)88(6)51-20-17-47(81-58(51)91)39-11-8-14-42(29-39)67(70,71)72/h8-22,27-32H,7,23-26,33-35H2,1-6H3,(H,84,98)(H,79,85,99)(H,80,86,100).
What are the key properties of N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 1444.44 g/mol, XLogP of 14.13, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 123769635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).