2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine

C46H49ClF6N10O4 — CID 157257391

IUPAC2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCOc1cc(N2CCOCC2)ccc1N.COc1cc(N2CCOCC2)ccc1Nc1cc(NCc2ccccn2)c(C(F)(F)F)cn1.FC(F)(F)c1cnc(Cl)cc1NCc1ccccn1
InChIInChI=1S/C23H24F3N5O2.C12H9ClF3N3.C11H16N2O2/c1-32-21-12-17(31-8-10-33-11-9-31)5-6-19(21)30-22-13-20(18(15-29-22)23(24,25)26)28-14-16-4-2-3-7-27-16;13-11-5-10(9(7-19-11)12(14,15)16)18-6-8-3-1-2-4-17-8;1-14-11-8-9(2-3-10(11)12)13-4-6-15-7-5-13/h2-7,12-13,15H,8-11,14H2,1H3,(H2,28,29,30);1-5,7H,6H2,(H,18,19);2-3,8H,4-7,12H2,1H3
InChIKeyAXAXSOYGNGLHHG-UHFFFAOYSA-N
MW955.40 g/mol
LogP9.57
Rot. Bonds12

About 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine

2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 157257391) has the molecular formula C46H49ClF6N10O4 and a molecular weight of 955.40 g/mol. Its IUPAC name is 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
PubChem CID157257391
Molecular FormulaC46H49ClF6N10O4
Molecular Weight955.40 g/mol
Exact Mass954.35
IUPAC Name2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCOc1cc(N2CCOCC2)ccc1N.COc1cc(N2CCOCC2)ccc1Nc1cc(NCc2ccccn2)c(C(F)(F)F)cn1.FC(F)(F)c1cnc(Cl)cc1NCc1ccccn1
InChIInChI=1S/C23H24F3N5O2.C12H9ClF3N3.C11H16N2O2/c1-32-21-12-17(31-8-10-33-11-9-31)5-6-19(21)30-22-13-20(18(15-29-22)23(24,25)26)28-14-16-4-2-3-7-27-16;13-11-5-10(9(7-19-11)12(14,15)16)18-6-8-3-1-2-4-17-8;1-14-11-8-9(2-3-10(11)12)13-4-6-15-7-5-13/h2-7,12-13,15H,8-11,14H2,1H3,(H2,28,29,30);1-5,7H,6H2,(H,18,19);2-3,8H,4-7,12H2,1H3
InChIKeyAXAXSOYGNGLHHG-UHFFFAOYSA-N
XLogP9.57
TPSA157.07 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500955.40
LogP ≤ 59.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine with MolForge

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Related Compounds

1-[4-[[5-Chloro-4-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-3-(2-pyridin-3-ylethyl)urea
CID 141759648
1-[4-[[5-Chloro-4-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-2-yl]amino]-3-methoxyphenyl]-3-(pyridin-3-ylmethyl)urea
CID 155517980
1-[4-[[5-Chloro-4-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-3-(pyridin-3-ylmethyl)urea
CID 155539390
3-[4-[[5-Chloro-4-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 155560392
1-[4-[[5-Chloro-4-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-3-(pyrazin-2-ylmethyl)urea
CID 155518858
1-[4-[[5-Chloro-4-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-3-(pyridin-2-ylmethyl)urea
CID 155523110
1-[4-[[5-Chloro-4-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-3-(pyridin-4-ylmethyl)urea
CID 155561964
1-[4-[[5-Chloro-4-[3-(trifluoromethoxy)anilino]pyrimidin-2-yl]amino]-3-methoxyphenyl]-3-(pyridin-3-ylmethyl)urea
CID 155566801
4-[4-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxyphenyl]-N-ethylpiperazine-1-carboxamide
CID 118105678
5-chloro-2-N,4-N-bis(2-methoxy-4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
CID 118105714
N2,N4-bis(2-methoxy-4-(piperazin-1-yl)phenyl)-5-(trifluoromethyl)pyrimidin-2,4-diamine
CID 118105719
4-[4-[[4-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-ethylpiperazine-1-carboxamide
CID 118105752

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The IUPAC name of 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine (CID 157257391) is 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The canonical SMILES for 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine is COc1cc(N2CCOCC2)ccc1N.COc1cc(N2CCOCC2)ccc1Nc1cc(NCc2ccccn2)c(C(F)(F)F)cn1.FC(F)(F)c1cnc(Cl)cc1NCc1ccccn1.
What is the InChIKey of 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The InChIKey is AXAXSOYGNGLHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2.C12H9ClF3N3.C11H16N2O2/c1-32-21-12-17(31-8-10-33-11-9-31)5-6-19(21)30-22-13-20(18(15-29-22)23(24,25)26)28-14-16-4-2-3-7-27-16;13-11-5-10(9(7-19-11)12(14,15)16)18-6-8-3-1-2-4-17-8;1-14-11-8-9(2-3-10(11)12)13-4-6-15-7-5-13/h2-7,12-13,15H,8-11,14H2,1H3,(H2,28,29,30);1-5,7H,6H2,(H,18,19);2-3,8H,4-7,12H2,1H3.
What are the key properties of 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine has a molecular weight of 955.40 g/mol, XLogP of 9.57, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 157257391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).