5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C24H21F3N6O2 — CID 118382406

IUPAC5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cncc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C24H21F3N6O2/c25-24(26,27)18-9-19(13-29-12-18)30-23(34)22-20-8-16(1-2-21(20)31-32-22)17-7-15(10-28-11-17)14-33-3-5-35-6-4-33/h1-2,7-13H,3-6,14H2,(H,30,34)(H,31,32)
InChIKeyMTNXFXXEOUIZPN-UHFFFAOYSA-N
MW482.47 g/mol
LogP4.12
Rot. Bonds5

About 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382406) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118382406
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cncc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C24H21F3N6O2/c25-24(26,27)18-9-19(13-29-12-18)30-23(34)22-20-8-16(1-2-21(20)31-32-22)17-7-15(10-28-11-17)14-33-3-5-35-6-4-33/h1-2,7-13H,3-6,14H2,(H,30,34)(H,31,32)
InChIKeyMTNXFXXEOUIZPN-UHFFFAOYSA-N
XLogP4.12
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-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-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118382406) is 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cncc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.
What is the InChIKey of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is MTNXFXXEOUIZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c25-24(26,27)18-9-19(13-29-12-18)30-23(34)22-20-8-16(1-2-21(20)31-32-22)17-7-15(10-28-11-17)14-33-3-5-35-6-4-33/h1-2,7-13H,3-6,14H2,(H,30,34)(H,31,32).
What are the key properties of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).