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

C24H25ClN6 — CID 137430857

IUPAC5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCC1CCCCC1
InChIInChI=1S/C24H25ClN6/c25-19-12-17(11-18-14-28-31-20(18)19)22-21(16-9-5-2-6-10-16)29-23(26)24(30-22)27-13-15-7-3-1-4-8-15/h2,5-6,9-12,14-15H,1,3-4,7-8,13H2,(H2,26,29)(H,27,30)(H,28,31)
InChIKeyMRLNKVDVOIJYCY-UHFFFAOYSA-N
MW432.96 g/mol
LogP5.91
Rot. Bonds5

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

5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine (PubChem CID 137430857) has the molecular formula C24H25ClN6 and a molecular weight of 432.96 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine
PubChem CID137430857
Molecular FormulaC24H25ClN6
Molecular Weight432.96 g/mol
Exact Mass432.18
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCC1CCCCC1
InChIInChI=1S/C24H25ClN6/c25-19-12-17(11-18-14-28-31-20(18)19)22-21(16-9-5-2-6-10-16)29-23(26)24(30-22)27-13-15-7-3-1-4-8-15/h2,5-6,9-12,14-15H,1,3-4,7-8,13H2,(H2,26,29)(H,27,30)(H,28,31)
InChIKeyMRLNKVDVOIJYCY-UHFFFAOYSA-N
XLogP5.91
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 55.91
H-Bond Donors ≤ 53
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-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine (CID 137430857) is 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCC1CCCCC1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine?
The InChIKey is MRLNKVDVOIJYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6/c25-19-12-17(11-18-14-28-31-20(18)19)22-21(16-9-5-2-6-10-16)29-23(26)24(30-22)27-13-15-7-3-1-4-8-15/h2,5-6,9-12,14-15H,1,3-4,7-8,13H2,(H2,26,29)(H,27,30)(H,28,31).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine?
5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine has a molecular weight of 432.96 g/mol, XLogP of 5.91, 5 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-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine is sourced from PubChem (CID 137430857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).