N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide

C29H28F2N6O — CID 70652376

IUPACN-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
SMILESCN1CC(Cc2c(F)cccc2F)CC(NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C1
InChIInChI=1S/C29H28F2N6O/c1-36-14-17(11-22-24(30)4-3-5-25(22)31)10-21(16-36)32-29(38)19-7-9-27-23(13-19)28(34-33-27)18-6-8-26-20(12-18)15-37(2)35-26/h3-9,12-13,15,17,21H,10-11,14,16H2,1-2H3,(H,32,38)(H,33,34)
InChIKeyPYLUAXDUTQDMCP-UHFFFAOYSA-N
MW514.58 g/mol
LogP4.69
Rot. Bonds5

About N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide

N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide (PubChem CID 70652376) has the molecular formula C29H28F2N6O and a molecular weight of 514.58 g/mol. Its IUPAC name is N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
PubChem CID70652376
Molecular FormulaC29H28F2N6O
Molecular Weight514.58 g/mol
Exact Mass514.23
IUPAC NameN-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
SMILESCN1CC(Cc2c(F)cccc2F)CC(NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C1
InChIInChI=1S/C29H28F2N6O/c1-36-14-17(11-22-24(30)4-3-5-25(22)31)10-21(16-36)32-29(38)19-7-9-27-23(13-19)28(34-33-27)18-6-8-26-20(12-18)15-37(2)35-26/h3-9,12-13,15,17,21H,10-11,14,16H2,1-2H3,(H,32,38)(H,33,34)
InChIKeyPYLUAXDUTQDMCP-UHFFFAOYSA-N
XLogP4.69
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-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 N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide (CID 70652376) is N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide is CN1CC(Cc2c(F)cccc2F)CC(NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C1.
What is the InChIKey of N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The InChIKey is PYLUAXDUTQDMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N6O/c1-36-14-17(11-22-24(30)4-3-5-25(22)31)10-21(16-36)32-29(38)19-7-9-27-23(13-19)28(34-33-27)18-6-8-26-20(12-18)15-37(2)35-26/h3-9,12-13,15,17,21H,10-11,14,16H2,1-2H3,(H,32,38)(H,33,34).
What are the key properties of N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide has a molecular weight of 514.58 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 70652376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).