1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide

C26H32N4O3 — CID 69421898

IUPAC1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)c(-c1cccc(OCCN3CCCCC3)c1)nn2C1CCCCO1
InChIInChI=1S/C26H32N4O3/c27-26(31)20-10-11-23-22(18-20)25(28-30(23)24-9-2-5-15-33-24)19-7-6-8-21(17-19)32-16-14-29-12-3-1-4-13-29/h6-8,10-11,17-18,24H,1-5,9,12-16H2,(H2,27,31)
InChIKeyZPOGQHLBSGKIAN-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.37
Rot. Bonds7

About 1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide

1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide (PubChem CID 69421898) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide.

Molecular Properties

Compound Name1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide
PubChem CID69421898
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)c(-c1cccc(OCCN3CCCCC3)c1)nn2C1CCCCO1
InChIInChI=1S/C26H32N4O3/c27-26(31)20-10-11-23-22(18-20)25(28-30(23)24-9-2-5-15-33-24)19-7-6-8-21(17-19)32-16-14-29-12-3-1-4-13-29/h6-8,10-11,17-18,24H,1-5,9,12-16H2,(H2,27,31)
InChIKeyZPOGQHLBSGKIAN-UHFFFAOYSA-N
XLogP4.37
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-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-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide?
The IUPAC name of 1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide (CID 69421898) is 1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide.
What is the SMILES notation for 1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide?
The canonical SMILES for 1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide is NC(=O)c1ccc2c(c1)c(-c1cccc(OCCN3CCCCC3)c1)nn2C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide?
The InChIKey is ZPOGQHLBSGKIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c27-26(31)20-10-11-23-22(18-20)25(28-30(23)24-9-2-5-15-33-24)19-7-6-8-21(17-19)32-16-14-29-12-3-1-4-13-29/h6-8,10-11,17-18,24H,1-5,9,12-16H2,(H2,27,31).
What are the key properties of 1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide?
1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide is sourced from PubChem (CID 69421898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).