2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide

C24H27BrF2N4O — CID 163698428

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(N2CCC(F)(F)CC2)n1)c1ccc(Br)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C24H27BrF2N4O/c25-17-4-5-18(19(16-17)30-12-8-23(6-7-23)9-13-30)22(32)29-20-2-1-3-21(28-20)31-14-10-24(26,27)11-15-31/h1-5,16H,6-15H2,(H,28,29,32)
InChIKeyJYWSZVKVFWDMOL-UHFFFAOYSA-N
MW505.41 g/mol
LogP5.71
Rot. Bonds4

About 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide

2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide (PubChem CID 163698428) has the molecular formula C24H27BrF2N4O and a molecular weight of 505.41 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide
PubChem CID163698428
Molecular FormulaC24H27BrF2N4O
Molecular Weight505.41 g/mol
Exact Mass504.13
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(N2CCC(F)(F)CC2)n1)c1ccc(Br)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C24H27BrF2N4O/c25-17-4-5-18(19(16-17)30-12-8-23(6-7-23)9-13-30)22(32)29-20-2-1-3-21(28-20)31-14-10-24(26,27)11-15-31/h1-5,16H,6-15H2,(H,28,29,32)
InChIKeyJYWSZVKVFWDMOL-UHFFFAOYSA-N
XLogP5.71
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.41
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]benzamide
CID 154942860
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
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[4-(difluoromethylidene)piperidin-1-yl]-2-pyridinyl]-4-iodobenzamide
CID 167273025
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-(3,3-difluoropiperidin-1-yl)-2-pyridinyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide
CID 154957820
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(3,3-difluorocyclobutyl)-4-methyl-2-pyridinyl]benzamide
CID 152943194
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-(2-chloro-6-methylpyrimidin-4-yl)benzamide
CID 154609106
2-(6-azaspiro[2.5]octan-6-yl)-4-[[1-(azetidin-1-ylmethyl)cyclopropyl]sulfonylamino]-N-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]benzamide
CID 167273044
4-bromo-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-(4,4-dimethyl-1,4-azasilinan-1-yl)benzamide
CID 170950059
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(4-isocyanopiperidin-1-yl)-2-pyridinyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide
CID 163507642
ethyl 2-[4-[[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]carbamoyl]-3-(1,1-dimethyl-1,4-thiazinan-4-yl)phenyl]sulfinamoylacetate
CID 170950154

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide (CID 163698428) is 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide is O=C(Nc1cccc(N2CCC(F)(F)CC2)n1)c1ccc(Br)cc1N1CCC2(CC1)CC2.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide?
The InChIKey is JYWSZVKVFWDMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrF2N4O/c25-17-4-5-18(19(16-17)30-12-8-23(6-7-23)9-13-30)22(32)29-20-2-1-3-21(28-20)31-14-10-24(26,27)11-15-31/h1-5,16H,6-15H2,(H,28,29,32).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide has a molecular weight of 505.41 g/mol, XLogP of 5.71, 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)-4-bromo-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 163698428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).