cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate

C22H19ClN8O2 — CID 137431665

IUPACcyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
SMILESCn1ccc(-c2nc(NC(=O)OC3CCCC3)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C22H19ClN8O2/c1-31-7-6-16(30-31)20-19(12-8-13-11-25-29-18(13)15(23)9-12)26-17(10-24)21(27-20)28-22(32)33-14-4-2-3-5-14/h6-9,11,14H,2-5H2,1H3,(H,25,29)(H,27,28,32)
InChIKeyVEXIEYDAOMMWRK-UHFFFAOYSA-N
MW462.90 g/mol
LogP4.44
Rot. Bonds4

About cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate

cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate (PubChem CID 137431665) has the molecular formula C22H19ClN8O2 and a molecular weight of 462.90 g/mol. Its IUPAC name is cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
PubChem CID137431665
Molecular FormulaC22H19ClN8O2
Molecular Weight462.90 g/mol
Exact Mass462.13
IUPAC Namecyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
SMILESCn1ccc(-c2nc(NC(=O)OC3CCCC3)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
InChIInChI=1S/C22H19ClN8O2/c1-31-7-6-16(30-31)20-19(12-8-13-11-25-29-18(13)15(23)9-12)26-17(10-24)21(27-20)28-22(32)33-14-4-2-3-5-14/h6-9,11,14H,2-5H2,1H3,(H,25,29)(H,27,28,32)
InChIKeyVEXIEYDAOMMWRK-UHFFFAOYSA-N
XLogP4.44
TPSA134.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.90
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate 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 cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?
The IUPAC name of cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate (CID 137431665) is cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate.
What is the SMILES notation for cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?
The canonical SMILES for cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate is Cn1ccc(-c2nc(NC(=O)OC3CCCC3)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.
What is the InChIKey of cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?
The InChIKey is VEXIEYDAOMMWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN8O2/c1-31-7-6-16(30-31)20-19(12-8-13-11-25-29-18(13)15(23)9-12)26-17(10-24)21(27-20)28-22(32)33-14-4-2-3-5-14/h6-9,11,14H,2-5H2,1H3,(H,25,29)(H,27,28,32).
What are the key properties of cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?
cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate has a molecular weight of 462.90 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate is sourced from PubChem (CID 137431665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).