1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea

C62H52ClF3N16O4 — CID 160945462

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3ncc(-c4ccccc4)nc3n2)cc1.O=C(NCCN1CCOCC1)Nc1ccc2ncc(-c3ccccc3)nc2n1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C21H13ClF3N5O.C21H17N5O.C20H22N6O2/c22-15-7-6-13(10-14(15)21(23,24)25)27-20(31)30-18-9-8-16-19(29-18)28-17(11-26-16)12-4-2-1-3-5-12;1-14-7-9-16(10-8-14)23-21(27)26-19-12-11-17-20(25-19)24-18(13-22-17)15-5-3-2-4-6-15;27-20(21-8-9-26-10-12-28-13-11-26)25-18-7-6-16-19(24-18)23-17(14-22-16)15-4-2-1-3-5-15/h1-11H,(H2,27,28,29,30,31);2-13H,1H3,(H2,23,24,25,26,27);1-7,14H,8-13H2,(H2,21,23,24,25,27)
InChIKeySVAXOEHNQOJMIB-UHFFFAOYSA-N
MW1177.65 g/mol
LogP12.80
Rot. Bonds11

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea (PubChem CID 160945462) has the molecular formula C62H52ClF3N16O4 and a molecular weight of 1177.65 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
PubChem CID160945462
Molecular FormulaC62H52ClF3N16O4
Molecular Weight1177.65 g/mol
Exact Mass1176.40
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3ncc(-c4ccccc4)nc3n2)cc1.O=C(NCCN1CCOCC1)Nc1ccc2ncc(-c3ccccc3)nc2n1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C21H13ClF3N5O.C21H17N5O.C20H22N6O2/c22-15-7-6-13(10-14(15)21(23,24)25)27-20(31)30-18-9-8-16-19(29-18)28-17(11-26-16)12-4-2-1-3-5-12;1-14-7-9-16(10-8-14)23-21(27)26-19-12-11-17-20(25-19)24-18(13-22-17)15-5-3-2-4-6-15;27-20(21-8-9-26-10-12-28-13-11-26)25-18-7-6-16-19(24-18)23-17(14-22-16)15-4-2-1-3-5-15/h1-11H,(H2,27,28,29,30,31);2-13H,1H3,(H2,23,24,25,26,27);1-7,14H,8-13H2,(H2,21,23,24,25,27)
InChIKeySVAXOEHNQOJMIB-UHFFFAOYSA-N
XLogP12.80
TPSA251.87 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001177.65
LogP ≤ 512.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea with MolForge

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Related Compounds

1-(4-Chloro-3-pyridin-2-ylphenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea
CID 145953725
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 11487583
7-(3-chloropyridin-2-yl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)pyridin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030263
7-(3-chloropyridin-2-yl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030470
7-(3-chloropyridin-2-yl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 58665870
7-(3-chloropyridin-2-yl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 58665938
6-[4-chloro-3-(trifluoromethyl)phenyl]-8-methyl-N-(6-morpholin-4-ylpyridin-3-yl)-5,7-dihydropyrimido[4,5-d]pyrimidin-2-amine
CID 122648666
1-(4-Chlorophenyl)-3-[4-fluoro-3-[(3-morpholin-4-ylquinoxalin-6-yl)methyl]phenyl]urea
CID 123336781
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 158176971
2-[[bis(2-methoxyethyl)amino]methyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-[(2-methylpiperidin-1-yl)methyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 158281434
7-(3-chloro-2-pyridinyl)-N-(2-methylsulfonylethyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide;2-(methoxymethyl)-7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrazin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-pyrimidin-2-yl-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 158797625
3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 159487358

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea (CID 160945462) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea is Cc1ccc(NC(=O)Nc2ccc3ncc(-c4ccccc4)nc3n2)cc1.O=C(NCCN1CCOCC1)Nc1ccc2ncc(-c3ccccc3)nc2n1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc2ncc(-c3ccccc3)nc2n1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The InChIKey is SVAXOEHNQOJMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N5O.C21H17N5O.C20H22N6O2/c22-15-7-6-13(10-14(15)21(23,24)25)27-20(31)30-18-9-8-16-19(29-18)28-17(11-26-16)12-4-2-1-3-5-12;1-14-7-9-16(10-8-14)23-21(27)26-19-12-11-17-20(25-19)24-18(13-22-17)15-5-3-2-4-6-15;27-20(21-8-9-26-10-12-28-13-11-26)25-18-7-6-16-19(24-18)23-17(14-22-16)15-4-2-1-3-5-15/h1-11H,(H2,27,28,29,30,31);2-13H,1H3,(H2,23,24,25,26,27);1-7,14H,8-13H2,(H2,21,23,24,25,27).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea has a molecular weight of 1177.65 g/mol, XLogP of 12.80, 11 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(4-methylphenyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-(2-morpholin-4-ylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea is sourced from PubChem (CID 160945462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).