3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile

C20H19ClN8 — CID 137431293

IUPAC3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
SMILESCn1ccc(-c2nc(NC(C)(C)C)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C20H19ClN8/c1-20(2,3)26-19-15(9-22)24-17(18(25-19)14-5-6-29(4)28-14)11-7-12-10-23-27-16(12)13(21)8-11/h5-8,10H,1-4H3,(H,23,27)(H,25,26)
InChIKeyVGUVPOGDLKOOSU-UHFFFAOYSA-N
MW406.88 g/mol
LogP4.16
Rot. Bonds3

About 3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile

3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile (PubChem CID 137431293) has the molecular formula C20H19ClN8 and a molecular weight of 406.88 g/mol. Its IUPAC name is 3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
PubChem CID137431293
Molecular FormulaC20H19ClN8
Molecular Weight406.88 g/mol
Exact Mass406.14
IUPAC Name3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
SMILESCn1ccc(-c2nc(NC(C)(C)C)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C20H19ClN8/c1-20(2,3)26-19-15(9-22)24-17(18(25-19)14-5-6-29(4)28-14)11-7-12-10-23-27-16(12)13(21)8-11/h5-8,10H,1-4H3,(H,23,27)(H,25,26)
InChIKeyVGUVPOGDLKOOSU-UHFFFAOYSA-N
XLogP4.16
TPSA108.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-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

Related Compounds

oxan-4-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 137431670
5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
CID 137430589
6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylmethylamino)pyrazine-2-carbonitrile
CID 137431058
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one
CID 137430714
6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile
CID 137431740
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 154604721
6-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-(oxan-4-ylamino)pyrazine-2-carbonitrile;6-(4-chloronaphthalen-2-yl)-3-(cyclopropylamino)-5-phenylpyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(oxan-4-ylamino)pyrazine-2-carbonitrile
CID 157221319
3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile
CID 137430883
[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea
CID 137430386
ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate
CID 137430651
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile
CID 137431183
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]-5-phenylpyrazine-2-carboxamide
CID 137431590

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile (CID 137431293) is 3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile is Cn1ccc(-c2nc(NC(C)(C)C)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.
What is the InChIKey of 3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile?
The InChIKey is VGUVPOGDLKOOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN8/c1-20(2,3)26-19-15(9-22)24-17(18(25-19)14-5-6-29(4)28-14)11-7-12-10-23-27-16(12)13(21)8-11/h5-8,10H,1-4H3,(H,23,27)(H,25,26).
What are the key properties of 3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile?
3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile has a molecular weight of 406.88 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137431293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).