1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol

C23H28ClN7O2 — CID 158925393

IUPAC1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCC1=CC(Nc2nc(/C=C/c3cccc(Cl)c3)nc(NCC(O)CN3CCOCC3)n2)=NC1
InChIInChI=1S/C23H28ClN7O2/c1-16-11-21(25-13-16)29-23-28-20(6-5-17-3-2-4-18(24)12-17)27-22(30-23)26-14-19(32)15-31-7-9-33-10-8-31/h2-6,11-12,19,32H,7-10,13-15H2,1H3,(H2,25,26,27,28,29,30)/b6-5+
InChIKeyADMUPFVXPNKFOE-AATRIKPKSA-N
MW469.98 g/mol
LogP2.57
Rot. Bonds8

About 1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol

1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 158925393) has the molecular formula C23H28ClN7O2 and a molecular weight of 469.98 g/mol. Its IUPAC name is 1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID158925393
Molecular FormulaC23H28ClN7O2
Molecular Weight469.98 g/mol
Exact Mass469.20
IUPAC Name1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCC1=CC(Nc2nc(/C=C/c3cccc(Cl)c3)nc(NCC(O)CN3CCOCC3)n2)=NC1
InChIInChI=1S/C23H28ClN7O2/c1-16-11-21(25-13-16)29-23-28-20(6-5-17-3-2-4-18(24)12-17)27-22(30-23)26-14-19(32)15-31-7-9-33-10-8-31/h2-6,11-12,19,32H,7-10,13-15H2,1H3,(H2,25,26,27,28,29,30)/b6-5+
InChIKeyADMUPFVXPNKFOE-AATRIKPKSA-N
XLogP2.57
TPSA107.79 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.98
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol
CID 158395651
6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine
CID 158395646
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625
1-[(6-methyl-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 10966962
(E)-3-(3-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 9144457
1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60898557
(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830
4-[(E)-2-(3-chlorophenyl)ethenyl]-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-amine
CID 158199669
N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 58571305
4-[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]piperazin-2-one
CID 157058076
N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 58571320
1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol
CID 63333868

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol (CID 158925393) is 1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol is CC1=CC(Nc2nc(/C=C/c3cccc(Cl)c3)nc(NCC(O)CN3CCOCC3)n2)=NC1.
What is the InChIKey of 1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is ADMUPFVXPNKFOE-AATRIKPKSA-N. The full InChI is InChI=1S/C23H28ClN7O2/c1-16-11-21(25-13-16)29-23-28-20(6-5-17-3-2-4-18(24)12-17)27-22(30-23)26-14-19(32)15-31-7-9-33-10-8-31/h2-6,11-12,19,32H,7-10,13-15H2,1H3,(H2,25,26,27,28,29,30)/b6-5+.
What are the key properties of 1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol?
1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 469.98 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 158925393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).