[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone

C19H22F2N4OS — CID 134077901

IUPAC[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
SMILESCc1nc(CN2CCC3(C2)CN(C(=O)c2cccnc2)CCC3(F)F)cs1
InChIInChI=1S/C19H22F2N4OS/c1-14-23-16(11-27-14)10-24-7-4-18(12-24)13-25(8-5-19(18,20)21)17(26)15-3-2-6-22-9-15/h2-3,6,9,11H,4-5,7-8,10,12-13H2,1H3
InChIKeyRPEOVNFBQNUPAJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.22
Rot. Bonds3

About [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone

[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone (PubChem CID 134077901) has the molecular formula C19H22F2N4OS and a molecular weight of 392.48 g/mol. Its IUPAC name is [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
PubChem CID134077901
Molecular FormulaC19H22F2N4OS
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
SMILESCc1nc(CN2CCC3(C2)CN(C(=O)c2cccnc2)CCC3(F)F)cs1
InChIInChI=1S/C19H22F2N4OS/c1-14-23-16(11-27-14)10-24-7-4-18(12-24)13-25(8-5-19(18,20)21)17(26)15-3-2-6-22-9-15/h2-3,6,9,11H,4-5,7-8,10,12-13H2,1H3
InChIKeyRPEOVNFBQNUPAJ-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 155856742
2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97369906
[10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 134077535
[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-phenylmethanone
CID 134070367
[3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110108998
(4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 142181513
(3-fluoro-4-pyridinyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 131654640
(4-fluorophenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 134074094
(3-methylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470610
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 53200889
pyridin-3-yl-[8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155859302

Frequently Asked Questions

What is the IUPAC name of [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
The IUPAC name of [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone (CID 134077901) is [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone is Cc1nc(CN2CCC3(C2)CN(C(=O)c2cccnc2)CCC3(F)F)cs1.
What is the InChIKey of [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
The InChIKey is RPEOVNFBQNUPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4OS/c1-14-23-16(11-27-14)10-24-7-4-18(12-24)13-25(8-5-19(18,20)21)17(26)15-3-2-6-22-9-15/h2-3,6,9,11H,4-5,7-8,10,12-13H2,1H3.
What are the key properties of [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone has a molecular weight of 392.48 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 134077901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).