1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide

C26H25F2N5O3 — CID 67985895

IUPAC1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide
SMILESCc1cc(-c2nn(N3CCCC(CO)(Oc4cc(F)ccc4F)C3)c3ccc(C(N)=O)cc23)ccn1
InChIInChI=1S/C26H25F2N5O3/c1-16-11-17(7-9-30-16)24-20-12-18(25(29)35)3-6-22(20)33(31-24)32-10-2-8-26(14-32,15-34)36-23-13-19(27)4-5-21(23)28/h3-7,9,11-13,34H,2,8,10,14-15H2,1H3,(H2,29,35)
InChIKeyIZWUKSCKZFWSLN-UHFFFAOYSA-N
MW493.51 g/mol
LogP3.33
Rot. Bonds6

About 1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide

1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide (PubChem CID 67985895) has the molecular formula C26H25F2N5O3 and a molecular weight of 493.51 g/mol. Its IUPAC name is 1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide
PubChem CID67985895
Molecular FormulaC26H25F2N5O3
Molecular Weight493.51 g/mol
Exact Mass493.19
IUPAC Name1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide
SMILESCc1cc(-c2nn(N3CCCC(CO)(Oc4cc(F)ccc4F)C3)c3ccc(C(N)=O)cc23)ccn1
InChIInChI=1S/C26H25F2N5O3/c1-16-11-17(7-9-30-16)24-20-12-18(25(29)35)3-6-22(20)33(31-24)32-10-2-8-26(14-32,15-34)36-23-13-19(27)4-5-21(23)28/h3-7,9,11-13,34H,2,8,10,14-15H2,1H3,(H2,29,35)
InChIKeyIZWUKSCKZFWSLN-UHFFFAOYSA-N
XLogP3.33
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)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-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide?
The IUPAC name of 1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide (CID 67985895) is 1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide.
What is the SMILES notation for 1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide?
The canonical SMILES for 1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide is Cc1cc(-c2nn(N3CCCC(CO)(Oc4cc(F)ccc4F)C3)c3ccc(C(N)=O)cc23)ccn1.
What is the InChIKey of 1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide?
The InChIKey is IZWUKSCKZFWSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O3/c1-16-11-17(7-9-30-16)24-20-12-18(25(29)35)3-6-22(20)33(31-24)32-10-2-8-26(14-32,15-34)36-23-13-19(27)4-5-21(23)28/h3-7,9,11-13,34H,2,8,10,14-15H2,1H3,(H2,29,35).
What are the key properties of 1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide?
1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide has a molecular weight of 493.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-difluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide is sourced from PubChem (CID 67985895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).