2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide

C25H27F2IN4O — CID 167273025

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide
SMILESO=C(Nc1cccc(N2CCC(=C(F)F)CC2)n1)c1ccc(I)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C25H27F2IN4O/c26-23(27)17-6-12-32(13-7-17)22-3-1-2-21(29-22)30-24(33)19-5-4-18(28)16-20(19)31-14-10-25(8-9-25)11-15-31/h1-5,16H,6-15H2,(H,29,30,33)
InChIKeyQHAFOOOPRRLDNH-UHFFFAOYSA-N
MW564.42 g/mol
LogP6.07
Rot. Bonds4

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide (PubChem CID 167273025) has the molecular formula C25H27F2IN4O and a molecular weight of 564.42 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide
PubChem CID167273025
Molecular FormulaC25H27F2IN4O
Molecular Weight564.42 g/mol
Exact Mass564.12
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide
SMILESO=C(Nc1cccc(N2CCC(=C(F)F)CC2)n1)c1ccc(I)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C25H27F2IN4O/c26-23(27)17-6-12-32(13-7-17)22-3-1-2-21(29-22)30-24(33)19-5-4-18(28)16-20(19)31-14-10-25(8-9-25)11-15-31/h1-5,16H,6-15H2,(H,29,30,33)
InChIKeyQHAFOOOPRRLDNH-UHFFFAOYSA-N
XLogP6.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.42
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide
CID 163698428
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3-hydroxycyclobutyl)oxy-2-pyridinyl]-4-iodobenzamide
CID 167272423
2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-[6-(3-phenylmethoxycyclobutyl)oxy-2-pyridinyl]benzamide
CID 167272421
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]-4-[(1-methylcyclopropyl)sulfanylamino]benzamide
CID 147314911
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide
CID 163683505
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide
CID 154942860
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(4-isocyanopiperidin-1-yl)-2-pyridinyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide
CID 163507642
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoropiperidin-1-yl)-2-pyridinyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide
CID 154957820
2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide
CID 172559550
2-(6-azaspiro[2.5]octan-6-yl)-N-[4-cyclopropyl-3-(4,4-difluoropiperidin-1-yl)phenyl]-4-iodobenzamide
CID 170179125
2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-6-yl]-4-iodobenzamide
CID 171484741
5-(6-azaspiro[2.5]octan-6-yl)-7-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 171487913

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide (CID 167273025) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide is O=C(Nc1cccc(N2CCC(=C(F)F)CC2)n1)c1ccc(I)cc1N1CCC2(CC1)CC2.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide?
The InChIKey is QHAFOOOPRRLDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2IN4O/c26-23(27)17-6-12-32(13-7-17)22-3-1-2-21(29-22)30-24(33)19-5-4-18(28)16-20(19)31-14-10-25(8-9-25)11-15-31/h1-5,16H,6-15H2,(H,29,30,33).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide has a molecular weight of 564.42 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide is sourced from PubChem (CID 167273025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).