(2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride

C28H37Cl2N5O2S — CID 169321123

IUPAC(2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1nc(C2CCC(N3C[C@H](C(=O)Nc4cc(C)n(C)n4)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)sc1C.Cl
InChIInChI=1S/C28H36ClN5O2S.ClH/c1-17-13-26(32-33(17)4)31-27(35)25-15-34(24(16-36-25)14-20-5-9-22(29)10-6-20)23-11-7-21(8-12-23)28-30-18(2)19(3)37-28;/h5-6,9-10,13,21,23-25H,7-8,11-12,14-16H2,1-4H3,(H,31,32,35);1H/t21?,23?,24-,25+;/m0./s1
InChIKeyOIAOCGMFUMZHQG-SJMAYMTJSA-N
MW578.61 g/mol
LogP5.85
Rot. Bonds6

About (2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride

(2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 169321123) has the molecular formula C28H37Cl2N5O2S and a molecular weight of 578.61 g/mol. Its IUPAC name is (2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride
PubChem CID169321123
Molecular FormulaC28H37Cl2N5O2S
Molecular Weight578.61 g/mol
Exact Mass577.20
IUPAC Name(2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1nc(C2CCC(N3C[C@H](C(=O)Nc4cc(C)n(C)n4)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)sc1C.Cl
InChIInChI=1S/C28H36ClN5O2S.ClH/c1-17-13-26(32-33(17)4)31-27(35)25-15-34(24(16-36-25)14-20-5-9-22(29)10-6-20)23-11-7-21(8-12-23)28-30-18(2)19(3)37-28;/h5-6,9-10,13,21,23-25H,7-8,11-12,14-16H2,1-4H3,(H,31,32,35);1H/t21?,23?,24-,25+;/m0./s1
InChIKeyOIAOCGMFUMZHQG-SJMAYMTJSA-N
XLogP5.85
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.61
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of (2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride (CID 169321123) is (2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride is Cc1nc(C2CCC(N3C[C@H](C(=O)Nc4cc(C)n(C)n4)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)sc1C.Cl.
What is the InChIKey of (2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is OIAOCGMFUMZHQG-SJMAYMTJSA-N. The full InChI is InChI=1S/C28H36ClN5O2S.ClH/c1-17-13-26(32-33(17)4)31-27(35)25-15-34(24(16-36-25)14-20-5-9-22(29)10-6-20)23-11-7-21(8-12-23)28-30-18(2)19(3)37-28;/h5-6,9-10,13,21,23-25H,7-8,11-12,14-16H2,1-4H3,(H,31,32,35);1H/t21?,23?,24-,25+;/m0./s1.
What are the key properties of (2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride?
(2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 578.61 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 169321123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).