4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane

C47H48Cl4N6O5 — CID 158794370

IUPAC4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane
SMILESC.NC1CCC(O)CC1.O=C(NC1CCC(O)CC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.O=C(O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H21Cl2N3O2.C17H10Cl2N2O2.C6H13NO.CH4/c24-16-5-1-14(2-6-16)21-22(15-3-7-17(25)8-4-15)28-20(13-26-21)23(30)27-18-9-11-19(29)12-10-18;18-12-5-1-10(2-6-12)15-16(11-3-7-13(19)8-4-11)21-14(9-20-15)17(22)23;7-5-1-3-6(8)4-2-5;/h1-8,13,18-19,29H,9-12H2,(H,27,30);1-9H,(H,22,23);5-6,8H,1-4,7H2;1H4
InChIKeyISRJPOCARHMNMJ-UHFFFAOYSA-N
MW918.75 g/mol
LogP10.85
Rot. Bonds7

About 4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane

4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane (PubChem CID 158794370) has the molecular formula C47H48Cl4N6O5 and a molecular weight of 918.75 g/mol. Its IUPAC name is 4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane.

Molecular Properties

Compound Name4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane
PubChem CID158794370
Molecular FormulaC47H48Cl4N6O5
Molecular Weight918.75 g/mol
Exact Mass916.24
IUPAC Name4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane
SMILESC.NC1CCC(O)CC1.O=C(NC1CCC(O)CC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.O=C(O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H21Cl2N3O2.C17H10Cl2N2O2.C6H13NO.CH4/c24-16-5-1-14(2-6-16)21-22(15-3-7-17(25)8-4-15)28-20(13-26-21)23(30)27-18-9-11-19(29)12-10-18;18-12-5-1-10(2-6-12)15-16(11-3-7-13(19)8-4-11)21-14(9-20-15)17(22)23;7-5-1-3-6(8)4-2-5;/h1-8,13,18-19,29H,9-12H2,(H,27,30);1-9H,(H,22,23);5-6,8H,1-4,7H2;1H4
InChIKeyISRJPOCARHMNMJ-UHFFFAOYSA-N
XLogP10.85
TPSA184.44 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.75
LogP ≤ 510.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane with MolForge

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Related Compounds

5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
CID 11385186
N-cyclohexyl-5,6-diphenylpyrazine-2-carboxamide
CID 10150172
6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide
CID 103336797
6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid
CID 67504843
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119477613
2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide
CID 119478351
6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
CID 86616971
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
5-(4-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 17252724
2-N-[(4-chlorophenyl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093837
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881

Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane?
The IUPAC name of 4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane (CID 158794370) is 4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane.
What is the SMILES notation for 4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane?
The canonical SMILES for 4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane is C.NC1CCC(O)CC1.O=C(NC1CCC(O)CC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.O=C(O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane?
The InChIKey is ISRJPOCARHMNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O2.C17H10Cl2N2O2.C6H13NO.CH4/c24-16-5-1-14(2-6-16)21-22(15-3-7-17(25)8-4-15)28-20(13-26-21)23(30)27-18-9-11-19(29)12-10-18;18-12-5-1-10(2-6-12)15-16(11-3-7-13(19)8-4-11)21-14(9-20-15)17(22)23;7-5-1-3-6(8)4-2-5;/h1-8,13,18-19,29H,9-12H2,(H,27,30);1-9H,(H,22,23);5-6,8H,1-4,7H2;1H4.
What are the key properties of 4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane?
4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane has a molecular weight of 918.75 g/mol, XLogP of 10.85, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane is sourced from PubChem (CID 158794370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).