4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride

C28H31Cl2N5O2 — CID 161452478

IUPAC4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride
SMILESCl.Cl.Cn1c(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc2cc(CO)ccc21
InChIInChI=1S/C28H29N5O2.2ClH/c1-30-25-6-4-20(19-34)14-22(25)16-27(30)21-8-11-32(28(35)17-21)24-5-7-26-23(15-24)18-29-33(26)13-12-31-9-2-3-10-31;;/h4-8,11,14-18,34H,2-3,9-10,12-13,19H2,1H3;2*1H
InChIKeyMIZVCTJAESSRIU-UHFFFAOYSA-N
MW540.50 g/mol
LogP4.78
Rot. Bonds6

About 4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride

4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride (PubChem CID 161452478) has the molecular formula C28H31Cl2N5O2 and a molecular weight of 540.50 g/mol. Its IUPAC name is 4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride
PubChem CID161452478
Molecular FormulaC28H31Cl2N5O2
Molecular Weight540.50 g/mol
Exact Mass539.19
IUPAC Name4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride
SMILESCl.Cl.Cn1c(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc2cc(CO)ccc21
InChIInChI=1S/C28H29N5O2.2ClH/c1-30-25-6-4-20(19-34)14-22(25)16-27(30)21-8-11-32(28(35)17-21)24-5-7-26-23(15-24)18-29-33(26)13-12-31-9-2-3-10-31;;/h4-8,11,14-18,34H,2-3,9-10,12-13,19H2,1H3;2*1H
InChIKeyMIZVCTJAESSRIU-UHFFFAOYSA-N
XLogP4.78
TPSA68.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride 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

4-(1-methyl-1H-indol-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205152
4-(1-methyl-1H-indol-5-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205321
2,2,2-Trifluoro-1-(1-methylindol-3-yl)-1-[1-(1-methylpyrazol-4-yl)indazol-5-yl]ethanol
CID 24961288
N-(2-methoxyethyl)-N-methyl-2-[3-[3,3,3-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]propyl]indol-1-yl]acetamide
CID 57943242
2-[[2-[3-[3,3,3-Trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]propyl]indol-1-yl]acetyl]amino]acetamide
CID 57943345
2,2,2-Trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-methyl-5-pyrrolidin-1-ylindol-3-yl)ethanol
CID 57943375
N-(2-amino-2-oxoethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide
CID 57943856
2-[[2-[3-[2,2,2-Trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetyl]amino]acetamide
CID 68983131
N-(2-methoxyethyl)-N-methyl-2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetamide
CID 68983696
N-methyl-2-[[2-[3-[2,2,2-trifluoro-1-hydroxy-1-[1-(4-methylphenyl)indazol-5-yl]ethyl]indol-1-yl]acetyl]amino]acetamide
CID 71213208
1-(1-Ethylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]ethanol;2-[formyl(methyl)amino]acetamide
CID 143372125
2-Fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol
CID 150538851

Frequently Asked Questions

What is the IUPAC name of 4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride?
The IUPAC name of 4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride (CID 161452478) is 4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride.
What is the SMILES notation for 4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride?
The canonical SMILES for 4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride is Cl.Cl.Cn1c(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc2cc(CO)ccc21.
What is the InChIKey of 4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride?
The InChIKey is MIZVCTJAESSRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2.2ClH/c1-30-25-6-4-20(19-34)14-22(25)16-27(30)21-8-11-32(28(35)17-21)24-5-7-26-23(15-24)18-29-33(26)13-12-31-9-2-3-10-31;;/h4-8,11,14-18,34H,2-3,9-10,12-13,19H2,1H3;2*1H.
What are the key properties of 4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride?
4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride has a molecular weight of 540.50 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(hydroxymethyl)-1-methylindol-2-yl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;dihydrochloride is sourced from PubChem (CID 161452478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).