N-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H23F3N6O3 — CID 118172535

IUPACN-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C1CC2(CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)CN1
InChIInChI=1S/C24H23F3N6O3/c25-24(26,27)19-3-1-2-18(30-19)22(36)29-16-4-5-17-15(10-16)12-33(31-17)13-21(35)32-8-6-23(7-9-32)11-20(34)28-14-23/h1-5,10,12H,6-9,11,13-14H2,(H,28,34)(H,29,36)
InChIKeyVRQQQBXMUYGXEX-UHFFFAOYSA-N
MW500.48 g/mol
LogP2.83
Rot. Bonds4

About N-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172535) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is N-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172535
Molecular FormulaC24H23F3N6O3
Molecular Weight500.48 g/mol
Exact Mass500.18
IUPAC NameN-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C1CC2(CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)CN1
InChIInChI=1S/C24H23F3N6O3/c25-24(26,27)19-3-1-2-18(30-19)22(36)29-16-4-5-17-15(10-16)12-33(31-17)13-21(35)32-8-6-23(7-9-32)11-20(34)28-14-23/h1-5,10,12H,6-9,11,13-14H2,(H,28,34)(H,29,36)
InChIKeyVRQQQBXMUYGXEX-UHFFFAOYSA-N
XLogP2.83
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-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-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172535) is N-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C1CC2(CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)CN1.
What is the InChIKey of N-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is VRQQQBXMUYGXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O3/c25-24(26,27)19-3-1-2-18(30-19)22(36)29-16-4-5-17-15(10-16)12-33(31-17)13-21(35)32-8-6-23(7-9-32)11-20(34)28-14-23/h1-5,10,12H,6-9,11,13-14H2,(H,28,34)(H,29,36).
What are the key properties of N-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 500.48 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).