N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide

C36H38ClN7O4 — CID 58733126

IUPACN-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide
SMILESO=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)c1cc(=O)c2cc(-n3ccnc3)ccc2o1
InChIInChI=1S/C36H38ClN7O4/c37-27-8-6-25(7-9-27)18-30(41-34(46)33-20-31(45)29-19-28(10-11-32(29)48-33)43-17-14-38-23-43)35(47)42-15-12-36(13-16-42,21-44-24-39-22-40-44)26-4-2-1-3-5-26/h6-11,14,17,19-20,22-24,26,30H,1-5,12-13,15-16,18,21H2,(H,41,46)/t30-/m1/s1
InChIKeyYJCHDRDFXSAXPM-SSEXGKCCSA-N
MW668.20 g/mol
LogP5.45
Rot. Bonds9

About N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide

N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide (PubChem CID 58733126) has the molecular formula C36H38ClN7O4 and a molecular weight of 668.20 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide
PubChem CID58733126
Molecular FormulaC36H38ClN7O4
Molecular Weight668.20 g/mol
Exact Mass667.27
IUPAC NameN-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide
SMILESO=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)c1cc(=O)c2cc(-n3ccnc3)ccc2o1
InChIInChI=1S/C36H38ClN7O4/c37-27-8-6-25(7-9-27)18-30(41-34(46)33-20-31(45)29-19-28(10-11-32(29)48-33)43-17-14-38-23-43)35(47)42-15-12-36(13-16-42,21-44-24-39-22-40-44)26-4-2-1-3-5-26/h6-11,14,17,19-20,22-24,26,30H,1-5,12-13,15-16,18,21H2,(H,41,46)/t30-/m1/s1
InChIKeyYJCHDRDFXSAXPM-SSEXGKCCSA-N
XLogP5.45
TPSA128.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.20
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide
CID 58733105
2-amino-N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 22262690
N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide
CID 10228827
(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-2-[(4-hydroxycyclohexyl)amino]propan-1-one
CID 87840468
N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(dimethylamino)propanamide
CID 23588994
N-[(2S)-1-(4-chlorophenyl)-4-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-2-yl]-4-oxochromene-2-carboxamide
CID 58812632
N-[(2S)-1-(4-chlorophenyl)-4-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-2-yl]-6,7-dihydroxy-4-oxochromene-2-carboxamide
CID 58812655
4-[[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]cyclohexane-1-carboxamide
CID 68527521
N-[(2S)-1-(4-chlorophenyl)-4-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-2-yl]-6-methylsulfonyl-4-oxochromene-2-carboxamide
CID 58812593
N-[(2S)-1-(4-chlorophenyl)-4-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide
CID 58812573
(2R)-2-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-piperidin-4-ylacetamide
CID 10120682
(2R)-2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]amino]-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 68531186

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide (CID 58733126) is N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide is O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)c1cc(=O)c2cc(-n3ccnc3)ccc2o1.
What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide?
The InChIKey is YJCHDRDFXSAXPM-SSEXGKCCSA-N. The full InChI is InChI=1S/C36H38ClN7O4/c37-27-8-6-25(7-9-27)18-30(41-34(46)33-20-31(45)29-19-28(10-11-32(29)48-33)43-17-14-38-23-43)35(47)42-15-12-36(13-16-42,21-44-24-39-22-40-44)26-4-2-1-3-5-26/h6-11,14,17,19-20,22-24,26,30H,1-5,12-13,15-16,18,21H2,(H,41,46)/t30-/m1/s1.
What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide?
N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide has a molecular weight of 668.20 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 58733126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).