5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine

C23H23ClN6 — CID 137431895

IUPAC5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC1CCCCC1
InChIInChI=1S/C23H23ClN6/c24-18-12-15(11-16-13-26-30-19(16)18)21-20(14-7-3-1-4-8-14)28-22(25)23(29-21)27-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H2,25,28)(H,26,30)(H,27,29)
InChIKeyWOINDVYPMZAKHS-UHFFFAOYSA-N
MW418.93 g/mol
LogP5.67
Rot. Bonds4

About 5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine

5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine (PubChem CID 137431895) has the molecular formula C23H23ClN6 and a molecular weight of 418.93 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine
PubChem CID137431895
Molecular FormulaC23H23ClN6
Molecular Weight418.93 g/mol
Exact Mass418.17
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC1CCCCC1
InChIInChI=1S/C23H23ClN6/c24-18-12-15(11-16-13-26-30-19(16)18)21-20(14-7-3-1-4-8-14)28-22(25)23(29-21)27-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H2,25,28)(H,26,30)(H,27,29)
InChIKeyWOINDVYPMZAKHS-UHFFFAOYSA-N
XLogP5.67
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.93
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine 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

5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine
CID 137430857
5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine
CID 137430826
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide
CID 137430367
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
CID 137430364
6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile
CID 137431740
5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine
CID 137430974
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine
CID 137431036
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine
CID 137431040
5-(8-chloroquinolin-6-yl)-3-N-(oxetan-3-yl)-6-phenylpyrazine-2,3-diamine
CID 137431867
5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine
CID 137431617
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one
CID 137430965
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine
CID 137431644

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine (CID 137431895) is 5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC1CCCCC1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine?
The InChIKey is WOINDVYPMZAKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6/c24-18-12-15(11-16-13-26-30-19(16)18)21-20(14-7-3-1-4-8-14)28-22(25)23(29-21)27-17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10H2,(H2,25,28)(H,26,30)(H,27,29).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine?
5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine has a molecular weight of 418.93 g/mol, XLogP of 5.67, 4 rotatable bonds, 3 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-N-cyclohexyl-6-phenylpyrazine-2,3-diamine is sourced from PubChem (CID 137431895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).