(1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine

C22H26N6S — CID 171768804

IUPAC(1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine
SMILESCc1nccc(Sc2cnc(N3CCC4(CC3)Cn3cccc3[C@H]4N)cn2)c1C
InChIInChI=1S/C22H26N6S/c1-15-16(2)24-8-5-18(15)29-20-13-25-19(12-26-20)27-10-6-22(7-11-27)14-28-9-3-4-17(28)21(22)23/h3-5,8-9,12-13,21H,6-7,10-11,14,23H2,1-2H3/t21-/m1/s1
InChIKeyJQLOYHRBMDHASA-OAQYLSRUSA-N
MW406.56 g/mol
LogP3.74
Rot. Bonds3

About (1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine

(1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine (PubChem CID 171768804) has the molecular formula C22H26N6S and a molecular weight of 406.56 g/mol. Its IUPAC name is (1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine
PubChem CID171768804
Molecular FormulaC22H26N6S
Molecular Weight406.56 g/mol
Exact Mass406.19
IUPAC Name(1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine
SMILESCc1nccc(Sc2cnc(N3CCC4(CC3)Cn3cccc3[C@H]4N)cn2)c1C
InChIInChI=1S/C22H26N6S/c1-15-16(2)24-8-5-18(15)29-20-13-25-19(12-26-20)27-10-6-22(7-11-27)14-28-9-3-4-17(28)21(22)23/h3-5,8-9,12-13,21H,6-7,10-11,14,23H2,1-2H3/t21-/m1/s1
InChIKeyJQLOYHRBMDHASA-OAQYLSRUSA-N
XLogP3.74
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 171768833
(4S)-1'-[5-[(3-chloro-2-pyrazol-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 165388012
1'-[5-[[3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 174187877
(4S)-1'-[5-(4-fluorophenyl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 171471247
(4S)-1'-[5-[5-(difluoromethyl)-2-fluorophenyl]sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 171471309
(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 155774186
(4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine
CID 155591704
(4S)-1'-[5-(8-chloro-3-nitroimidazo[1,2-a]pyridin-7-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 171059189
(3R)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
CID 155774242
[1-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]-3-fluoroazetidin-3-yl]methanol
CID 162523201
(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-ethenyl-8-azaspiro[4.5]decan-4-amine
CID 135197189
2-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-1-(4-methylphenyl)ethanone
CID 139512216

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine (CID 171768804) is (1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine is Cc1nccc(Sc2cnc(N3CCC4(CC3)Cn3cccc3[C@H]4N)cn2)c1C.
What is the InChIKey of (1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine?
The InChIKey is JQLOYHRBMDHASA-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26N6S/c1-15-16(2)24-8-5-18(15)29-20-13-25-19(12-26-20)27-10-6-22(7-11-27)14-28-9-3-4-17(28)21(22)23/h3-5,8-9,12-13,21H,6-7,10-11,14,23H2,1-2H3/t21-/m1/s1.
What are the key properties of (1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine?
(1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine has a molecular weight of 406.56 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine is sourced from PubChem (CID 171768804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).