3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile

C19H15ClN6O — CID 137431189

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile
SMILESCc1oc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c(C)c1C
InChIInChI=1S/C19H15ClN6O/c1-8-9(2)18(27-10(8)3)17-16(24-14(6-21)19(22)25-17)11-4-12-7-23-26-15(12)13(20)5-11/h4-5,7H,1-3H3,(H2,22,25)(H,23,26)
InChIKeyOHRRBVNEHNYQRO-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.31
Rot. Bonds2

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile (PubChem CID 137431189) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile
PubChem CID137431189
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile
SMILESCc1oc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c(C)c1C
InChIInChI=1S/C19H15ClN6O/c1-8-9(2)18(27-10(8)3)17-16(24-14(6-21)19(22)25-17)11-4-12-7-23-26-15(12)13(20)5-11/h4-5,7H,1-3H3,(H2,22,25)(H,23,26)
InChIKeyOHRRBVNEHNYQRO-UHFFFAOYSA-N
XLogP4.31
TPSA117.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile (CID 137431189) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile is Cc1oc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c(C)c1C.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile?
The InChIKey is OHRRBVNEHNYQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c1-8-9(2)18(27-10(8)3)17-16(24-14(6-21)19(22)25-17)11-4-12-7-23-26-15(12)13(20)5-11/h4-5,7H,1-3H3,(H2,22,25)(H,23,26).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile has a molecular weight of 378.82 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137431189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).