5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine

C23H22ClN5S — CID 137430826

IUPAC5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SC1CCCCC1
InChIInChI=1S/C23H22ClN5S/c24-18-12-15(11-16-13-26-29-19(16)18)21-20(14-7-3-1-4-8-14)27-22(25)23(28-21)30-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H2,25,27)(H,26,29)
InChIKeyREYHTKMCEWKYTE-UHFFFAOYSA-N
MW435.98 g/mol
LogP6.35
Rot. Bonds4

About 5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine

5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine (PubChem CID 137430826) has the molecular formula C23H22ClN5S and a molecular weight of 435.98 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine
PubChem CID137430826
Molecular FormulaC23H22ClN5S
Molecular Weight435.98 g/mol
Exact Mass435.13
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SC1CCCCC1
InChIInChI=1S/C23H22ClN5S/c24-18-12-15(11-16-13-26-29-19(16)18)21-20(14-7-3-1-4-8-14)27-22(25)23(28-21)30-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H2,25,27)(H,26,29)
InChIKeyREYHTKMCEWKYTE-UHFFFAOYSA-N
XLogP6.35
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.98
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine (CID 137430826) is 5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SC1CCCCC1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine?
The InChIKey is REYHTKMCEWKYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5S/c24-18-12-15(11-16-13-26-29-19(16)18)21-20(14-7-3-1-4-8-14)27-22(25)23(28-21)30-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H2,25,27)(H,26,29).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine?
5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine has a molecular weight of 435.98 g/mol, XLogP of 6.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine is sourced from PubChem (CID 137430826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).