1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide

C36H49N7O3 — CID 155545225

IUPAC1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2CCCCCCO
InChIInChI=1S/C36H49N7O3/c1-5-10-27-19-26(4)40-36(46)31(27)23-38-35(45)30-20-29(21-33-32(30)24-39-43(33)13-8-6-7-9-18-44)28-11-12-34(37-22-28)42-16-14-41(15-17-42)25(2)3/h11-12,19-22,24-25,44H,5-10,13-18,23H2,1-4H3,(H,38,45)(H,40,46)
InChIKeyKPLDMYFFSCWABC-UHFFFAOYSA-N
MW627.83 g/mol
LogP5.06
Rot. Bonds14

About 1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide

1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide (PubChem CID 155545225) has the molecular formula C36H49N7O3 and a molecular weight of 627.83 g/mol. Its IUPAC name is 1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
PubChem CID155545225
Molecular FormulaC36H49N7O3
Molecular Weight627.83 g/mol
Exact Mass627.39
IUPAC Name1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2CCCCCCO
InChIInChI=1S/C36H49N7O3/c1-5-10-27-19-26(4)40-36(46)31(27)23-38-35(45)30-20-29(21-33-32(30)24-39-43(33)13-8-6-7-9-18-44)28-11-12-34(37-22-28)42-16-14-41(15-17-42)25(2)3/h11-12,19-22,24-25,44H,5-10,13-18,23H2,1-4H3,(H,38,45)(H,40,46)
InChIKeyKPLDMYFFSCWABC-UHFFFAOYSA-N
XLogP5.06
TPSA119.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.83
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-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 1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
The IUPAC name of 1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide (CID 155545225) is 1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
The canonical SMILES for 1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2CCCCCCO.
What is the InChIKey of 1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
The InChIKey is KPLDMYFFSCWABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H49N7O3/c1-5-10-27-19-26(4)40-36(46)31(27)23-38-35(45)30-20-29(21-33-32(30)24-39-43(33)13-8-6-7-9-18-44)28-11-12-34(37-22-28)42-16-14-41(15-17-42)25(2)3/h11-12,19-22,24-25,44H,5-10,13-18,23H2,1-4H3,(H,38,45)(H,40,46).
What are the key properties of 1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide has a molecular weight of 627.83 g/mol, XLogP of 5.06, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxyhexyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide is sourced from PubChem (CID 155545225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).