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

C20H16ClN5 — CID 137431040

IUPAC5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine
SMILESC=C(C)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C20H16ClN5/c1-11(2)16-20(22)25-18(12-6-4-3-5-7-12)19(24-16)13-8-14-10-23-26-17(14)15(21)9-13/h3-10H,1H2,2H3,(H2,22,25)(H,23,26)
InChIKeyRTIVVJKFNQMESD-UHFFFAOYSA-N
MW361.84 g/mol
LogP4.96
Rot. Bonds3

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

5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine (PubChem CID 137431040) 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-1-en-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine
PubChem CID137431040
Molecular FormulaC20H16ClN5
Molecular Weight361.84 g/mol
Exact Mass361.11
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine
SMILESC=C(C)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C20H16ClN5/c1-11(2)16-20(22)25-18(12-6-4-3-5-7-12)19(24-16)13-8-14-10-23-26-17(14)15(21)9-13/h3-10H,1H2,2H3,(H2,22,25)(H,23,26)
InChIKeyRTIVVJKFNQMESD-UHFFFAOYSA-N
XLogP4.96
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide
CID 137430935
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
CID 137430364
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]-5-phenylpyrazine-2-carboxamide
CID 137431590
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
5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine
CID 137430826
5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine
CID 137431895
5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methylsulfanyl]-6-phenylpyrazin-2-amine
CID 158571194
5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine
CID 137430857

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine (CID 137431040) is 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine is C=C(C)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine?
The InChIKey is RTIVVJKFNQMESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5/c1-11(2)16-20(22)25-18(12-6-4-3-5-7-12)19(24-16)13-8-14-10-23-26-17(14)15(21)9-13/h3-10H,1H2,2H3,(H2,22,25)(H,23,26).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine?
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine has a molecular weight of 361.84 g/mol, XLogP of 4.96, 3 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-1-en-2-ylpyrazin-2-amine is sourced from PubChem (CID 137431040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).