5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine

C20H16ClN5 — CID 137431036

IUPAC5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine
SMILESC=CCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C20H16ClN5/c1-2-6-16-20(22)25-18(12-7-4-3-5-8-12)19(24-16)13-9-14-11-23-26-17(14)15(21)10-13/h2-5,7-11H,1,6H2,(H2,22,25)(H,23,26)
InChIKeyGNSIZROCWNUFNY-UHFFFAOYSA-N
MW361.84 g/mol
LogP4.65
Rot. Bonds4

About 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine

5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine (PubChem CID 137431036) has the molecular formula C20H16ClN5 and a molecular weight of 361.84 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine
PubChem CID137431036
Molecular FormulaC20H16ClN5
Molecular Weight361.84 g/mol
Exact Mass361.11
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine
SMILESC=CCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C20H16ClN5/c1-2-6-16-20(22)25-18(12-7-4-3-5-8-12)19(24-16)13-9-14-11-23-26-17(14)15(21)10-13/h2-5,7-11H,1,6H2,(H2,22,25)(H,23,26)
InChIKeyGNSIZROCWNUFNY-UHFFFAOYSA-N
XLogP4.65
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

n-(4-Chlorophenyl)-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167278
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555840
US10100045, Example 31
CID 134449986
US10100045, Example 28
CID 134450009
US10100045, Example 16
CID 134450053
US10155769, Example 73
CID 134450163
US10100045, Example 24
CID 134450187
US10100045, Example 20
CID 134450391
US10087185, Example 44
CID 134452552
US10087185, Example 53
CID 134452559
US10087185, Example 93
CID 134452598
US10155769, Example 88
CID 134452865

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine (CID 137431036) is 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine is C=CCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine?
The InChIKey is GNSIZROCWNUFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5/c1-2-6-16-20(22)25-18(12-7-4-3-5-8-12)19(24-16)13-9-14-11-23-26-17(14)15(21)10-13/h2-5,7-11H,1,6H2,(H2,22,25)(H,23,26).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine?
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine has a molecular weight of 361.84 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-2-enylpyrazin-2-amine is sourced from PubChem (CID 137431036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).