8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

C21H25F2N5OS — CID 166876518

IUPAC8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESNC1CC(F)(F)c2c(Sc3cnc(N4CCC5(CC4)COCC5N)cn3)cccc21
InChIInChI=1S/C21H25F2N5OS/c22-21(23)8-14(24)13-2-1-3-15(19(13)21)30-18-10-26-17(9-27-18)28-6-4-20(5-7-28)12-29-11-16(20)25/h1-3,9-10,14,16H,4-8,11-12,24-25H2
InChIKeyFYLRMNSUOCYDTL-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.07
Rot. Bonds3

About 8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 166876518) has the molecular formula C21H25F2N5OS and a molecular weight of 433.53 g/mol. Its IUPAC name is 8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID166876518
Molecular FormulaC21H25F2N5OS
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESNC1CC(F)(F)c2c(Sc3cnc(N4CCC5(CC4)COCC5N)cn3)cccc21
InChIInChI=1S/C21H25F2N5OS/c22-21(23)8-14(24)13-2-1-3-15(19(13)21)30-18-10-26-17(9-27-18)28-6-4-20(5-7-28)12-29-11-16(20)25/h1-3,9-10,14,16H,4-8,11-12,24-25H2
InChIKeyFYLRMNSUOCYDTL-UHFFFAOYSA-N
XLogP3.07
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1,3,3-trimethylindol-2-one
CID 138585230
2-[2-chloro-3-[5-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-1-(2-hydroxyphenyl)ethanone
CID 165035812
(3R)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
CID 155774242
N-[3-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropyridine-2-carboxamide
CID 177380213
(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 155774186
4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1H-pyridin-2-one
CID 142434039
1-[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-cyclopropylsulfonylurea
CID 170089651
1-[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-(oxan-4-ylsulfonyl)urea
CID 170089653
(5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 155385247
N-[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chlorophenyl]-5-chloro-2-hydroxybenzamide
CID 166932722
1-[3-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-pyrrolidin-1-ylsulfonylurea
CID 170088918
(3S,4S)-8-[5-[2-chloro-3-(pyrazin-2-ylmethyl)phenyl]sulfanylpyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164966337

Frequently Asked Questions

What is the IUPAC name of 8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 166876518) is 8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is NC1CC(F)(F)c2c(Sc3cnc(N4CCC5(CC4)COCC5N)cn3)cccc21.
What is the InChIKey of 8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is FYLRMNSUOCYDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N5OS/c22-21(23)8-14(24)13-2-1-3-15(19(13)21)30-18-10-26-17(9-27-18)28-6-4-20(5-7-28)12-29-11-16(20)25/h1-3,9-10,14,16H,4-8,11-12,24-25H2.
What are the key properties of 8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 433.53 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[(1-amino-3,3-difluoro-1,2-dihydroinden-4-yl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 166876518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).