5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride

C24H26Cl2N6O — CID 129052074

IUPAC5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride
SMILESCl.Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(Cl)c4)c3)cc(NC3CCNCC3)c12
InChIInChI=1S/C24H25ClN6O.ClH/c25-18-3-1-2-15(10-18)13-31-14-16(4-5-22(31)32)17-11-20(28-19-6-8-27-9-7-19)23-21(12-17)29-30-24(23)26;/h1-5,10-12,14,19,27-28H,6-9,13H2,(H3,26,29,30);1H
InChIKeyBJKGARJSTCJQBR-UHFFFAOYSA-N
MW485.42 g/mol
LogP4.26
Rot. Bonds5

About 5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride

5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride (PubChem CID 129052074) has the molecular formula C24H26Cl2N6O and a molecular weight of 485.42 g/mol. Its IUPAC name is 5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride
PubChem CID129052074
Molecular FormulaC24H26Cl2N6O
Molecular Weight485.42 g/mol
Exact Mass484.15
IUPAC Name5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride
SMILESCl.Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(Cl)c4)c3)cc(NC3CCNCC3)c12
InChIInChI=1S/C24H25ClN6O.ClH/c25-18-3-1-2-15(10-18)13-31-14-16(4-5-22(31)32)17-11-20(28-19-6-8-27-9-7-19)23-21(12-17)29-30-24(23)26;/h1-5,10-12,14,19,27-28H,6-9,13H2,(H3,26,29,30);1H
InChIKeyBJKGARJSTCJQBR-UHFFFAOYSA-N
XLogP4.26
TPSA100.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.42
LogP ≤ 54.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride 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 5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride?
The IUPAC name of 5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride (CID 129052074) is 5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride?
The canonical SMILES for 5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride is Cl.Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(Cl)c4)c3)cc(NC3CCNCC3)c12.
What is the InChIKey of 5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride?
The InChIKey is BJKGARJSTCJQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O.ClH/c25-18-3-1-2-15(10-18)13-31-14-16(4-5-22(31)32)17-11-20(28-19-6-8-27-9-7-19)23-21(12-17)29-30-24(23)26;/h1-5,10-12,14,19,27-28H,6-9,13H2,(H3,26,29,30);1H.
What are the key properties of 5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride?
5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride has a molecular weight of 485.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-4-(piperidin-4-ylamino)-1H-indazol-6-yl]-1-[(3-chlorophenyl)methyl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 129052074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).