N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide

C23H22ClN7O — CID 137430362

IUPACN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)Nc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1
InChIInChI=1S/C23H22ClN7O/c1-31-8-7-14(12-31)23(32)29-22-21(25)27-19(13-5-3-2-4-6-13)20(28-22)15-9-16-11-26-30-18(16)17(24)10-15/h2-6,9-11,14H,7-8,12H2,1H3,(H2,25,27)(H,26,30)(H,28,29,32)
InChIKeyJAOQYBZHUDFXMN-UHFFFAOYSA-N
MW447.93 g/mol
LogP3.81
Rot. Bonds4

About N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide

N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 137430362) has the molecular formula C23H22ClN7O and a molecular weight of 447.93 g/mol. Its IUPAC name is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
PubChem CID137430362
Molecular FormulaC23H22ClN7O
Molecular Weight447.93 g/mol
Exact Mass447.16
IUPAC NameN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)Nc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1
InChIInChI=1S/C23H22ClN7O/c1-31-8-7-14(12-31)23(32)29-22-21(25)27-19(13-5-3-2-4-6-13)20(28-22)15-9-16-11-26-30-18(16)17(24)10-15/h2-6,9-11,14H,7-8,12H2,1H3,(H2,25,27)(H,26,30)(H,28,29,32)
InChIKeyJAOQYBZHUDFXMN-UHFFFAOYSA-N
XLogP3.81
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide 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 N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide (CID 137430362) is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide is CN1CCC(C(=O)Nc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.
What is the InChIKey of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is JAOQYBZHUDFXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O/c1-31-8-7-14(12-31)23(32)29-22-21(25)27-19(13-5-3-2-4-6-13)20(28-22)15-9-16-11-26-30-18(16)17(24)10-15/h2-6,9-11,14H,7-8,12H2,1H3,(H2,25,27)(H,26,30)(H,28,29,32).
What are the key properties of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide?
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 447.93 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 137430362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).