1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol

C27H33ClN8O2 — CID 153278087

IUPAC1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol
SMILESCC1N=CC(Nc2nc3c(N4CCC(c5ccc(Cl)cc5)(C(O)CN5CCOCC5)CC4)cccn3n2)=N1
InChIInChI=1S/C27H33ClN8O2/c1-19-29-17-24(30-19)31-26-32-25-22(3-2-10-36(25)33-26)35-11-8-27(9-12-35,20-4-6-21(28)7-5-20)23(37)18-34-13-15-38-16-14-34/h2-7,10,17,19,23,37H,8-9,11-16,18H2,1H3,(H,30,31,33)
InChIKeyCQCDFQBXWNRPER-UHFFFAOYSA-N
MW537.07 g/mol
LogP2.85
Rot. Bonds6

About 1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol

1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol (PubChem CID 153278087) has the molecular formula C27H33ClN8O2 and a molecular weight of 537.07 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol
PubChem CID153278087
Molecular FormulaC27H33ClN8O2
Molecular Weight537.07 g/mol
Exact Mass536.24
IUPAC Name1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol
SMILESCC1N=CC(Nc2nc3c(N4CCC(c5ccc(Cl)cc5)(C(O)CN5CCOCC5)CC4)cccn3n2)=N1
InChIInChI=1S/C27H33ClN8O2/c1-19-29-17-24(30-19)31-26-32-25-22(3-2-10-36(25)33-26)35-11-8-27(9-12-35,20-4-6-21(28)7-5-20)23(37)18-34-13-15-38-16-14-34/h2-7,10,17,19,23,37H,8-9,11-16,18H2,1H3,(H,30,31,33)
InChIKeyCQCDFQBXWNRPER-UHFFFAOYSA-N
XLogP2.85
TPSA102.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.07
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol 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

4-[[3-(4-Chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 44530415
US9873709, Example 1-296
CID 91663285
US9873709, Example 1-290
CID 117941041
US9873709, Example 1-252
CID 117941121
US9873709, Example 1-287
CID 117950357
US9873709, Example 1-277
CID 117950365
US9873709, Example 1-285
CID 117950374
US9873709, Example 1-278
CID 117950375
US9873709, Example 1-286
CID 117950395
US9873709, Example 1-289
CID 117950816
US9873709, Example 1-291
CID 117950819
US9873709, Example 1-282
CID 117950984

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol?
The IUPAC name of 1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol (CID 153278087) is 1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol?
The canonical SMILES for 1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol is CC1N=CC(Nc2nc3c(N4CCC(c5ccc(Cl)cc5)(C(O)CN5CCOCC5)CC4)cccn3n2)=N1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol?
The InChIKey is CQCDFQBXWNRPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN8O2/c1-19-29-17-24(30-19)31-26-32-25-22(3-2-10-36(25)33-26)35-11-8-27(9-12-35,20-4-6-21(28)7-5-20)23(37)18-34-13-15-38-16-14-34/h2-7,10,17,19,23,37H,8-9,11-16,18H2,1H3,(H,30,31,33).
What are the key properties of 1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol?
1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol has a molecular weight of 537.07 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-1-[2-[(2-methyl-2H-imidazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]-2-morpholin-4-ylethanol is sourced from PubChem (CID 153278087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).