5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide

C24H22F3N7O2 — CID 118381504

IUPAC5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc(C(F)(F)F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C24H22F3N7O2/c25-24(26,27)23-29-11-17(12-30-23)31-22(36)21-19-8-15(1-2-20(19)32-33-21)16-7-14(9-28-10-16)13-34-5-3-18(35)4-6-34/h1-2,7-12,18,35H,3-6,13H2,(H,31,36)(H,32,33)
InChIKeyLQDZRZATLXMJRZ-UHFFFAOYSA-N
MW497.48 g/mol
LogP3.64
Rot. Bonds5

About 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide

5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide (PubChem CID 118381504) has the molecular formula C24H22F3N7O2 and a molecular weight of 497.48 g/mol. Its IUPAC name is 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
PubChem CID118381504
Molecular FormulaC24H22F3N7O2
Molecular Weight497.48 g/mol
Exact Mass497.18
IUPAC Name5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc(C(F)(F)F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C24H22F3N7O2/c25-24(26,27)23-29-11-17(12-30-23)31-22(36)21-19-8-15(1-2-20(19)32-33-21)16-7-14(9-28-10-16)13-34-5-3-18(35)4-6-34/h1-2,7-12,18,35H,3-6,13H2,(H,31,36)(H,32,33)
InChIKeyLQDZRZATLXMJRZ-UHFFFAOYSA-N
XLogP3.64
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-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 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide (CID 118381504) is 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide is O=C(Nc1cnc(C(F)(F)F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.
What is the InChIKey of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide?
The InChIKey is LQDZRZATLXMJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O2/c25-24(26,27)23-29-11-17(12-30-23)31-22(36)21-19-8-15(1-2-20(19)32-33-21)16-7-14(9-28-10-16)13-34-5-3-18(35)4-6-34/h1-2,7-12,18,35H,3-6,13H2,(H,31,36)(H,32,33).
What are the key properties of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide?
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide has a molecular weight of 497.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).