3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide

C25H26ClN7O — CID 137431587

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide
SMILESCN1CCC(CNC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1
InChIInChI=1S/C25H26ClN7O/c1-33-9-7-15(8-10-33)13-28-25(34)23-24(27)31-21(16-5-3-2-4-6-16)22(30-23)17-11-18-14-29-32-20(18)19(26)12-17/h2-6,11-12,14-15H,7-10,13H2,1H3,(H2,27,31)(H,28,34)(H,29,32)
InChIKeyGCQCMEUGCQEHFN-UHFFFAOYSA-N
MW475.98 g/mol
LogP3.99
Rot. Bonds5

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide

3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide (PubChem CID 137431587) has the molecular formula C25H26ClN7O and a molecular weight of 475.98 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide
PubChem CID137431587
Molecular FormulaC25H26ClN7O
Molecular Weight475.98 g/mol
Exact Mass475.19
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide
SMILESCN1CCC(CNC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1
InChIInChI=1S/C25H26ClN7O/c1-33-9-7-15(8-10-33)13-28-25(34)23-24(27)31-21(16-5-3-2-4-6-16)22(30-23)17-11-18-14-29-32-20(18)19(26)12-17/h2-6,11-12,14-15H,7-10,13H2,1H3,(H2,27,31)(H,28,34)(H,29,32)
InChIKeyGCQCMEUGCQEHFN-UHFFFAOYSA-N
XLogP3.99
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-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 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide (CID 137431587) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide is CN1CCC(CNC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide?
The InChIKey is GCQCMEUGCQEHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O/c1-33-9-7-15(8-10-33)13-28-25(34)23-24(27)31-21(16-5-3-2-4-6-16)22(30-23)17-11-18-14-29-32-20(18)19(26)12-17/h2-6,11-12,14-15H,7-10,13H2,1H3,(H2,27,31)(H,28,34)(H,29,32).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide?
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide has a molecular weight of 475.98 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 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)-N-[(1-methylpiperidin-4-yl)methyl]-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 137431587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).