[6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol

C22H25N7OS — CID 154662929

IUPAC[6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)c(CO)n2)n1
InChIInChI=1S/C22H25N7OS/c23-19-15-4-2-1-3-14(15)11-22(19)6-9-29(10-7-22)20-16(13-30)27-18(12-26-20)31-17-5-8-25-21(24)28-17/h1-5,8,12,19,30H,6-7,9-11,13,23H2,(H2,24,25,28)/t19-/m1/s1
InChIKeyLEJWCEGXPDNPLM-LJQANCHMSA-N
MW435.56 g/mol
LogP2.34
Rot. Bonds4

About [6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol

[6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol (PubChem CID 154662929) has the molecular formula C22H25N7OS and a molecular weight of 435.56 g/mol. Its IUPAC name is [6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol
PubChem CID154662929
Molecular FormulaC22H25N7OS
Molecular Weight435.56 g/mol
Exact Mass435.18
IUPAC Name[6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)c(CO)n2)n1
InChIInChI=1S/C22H25N7OS/c23-19-15-4-2-1-3-14(15)11-22(19)6-9-29(10-7-22)20-16(13-30)27-18(12-26-20)31-17-5-8-25-21(24)28-17/h1-5,8,12,19,30H,6-7,9-11,13,23H2,(H2,24,25,28)/t19-/m1/s1
InChIKeyLEJWCEGXPDNPLM-LJQANCHMSA-N
XLogP2.34
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[[3-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]sulfanyl]pyrazin-2-yl]methanol
CID 154662909
[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride
CID 155774215
N-[(1S)-1'-[3-(hydroxymethyl)-5-pyrimidin-4-ylsulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 155035671
[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol
CID 175756183
N-[(1S)-1'-[5-(2-aminopyrimidin-4-yl)sulfanyl-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 155035691
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol
CID 156806963
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol
CID 156806970
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile
CID 154662889
[3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol
CID 162492908
[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol
CID 175756164
(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone
CID 170682927
2-[1-[4-[5-[(7S)-7-aminospiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol
CID 162523238

Frequently Asked Questions

What is the IUPAC name of [6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol?
The IUPAC name of [6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol (CID 154662929) is [6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol is Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)c(CO)n2)n1.
What is the InChIKey of [6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol?
The InChIKey is LEJWCEGXPDNPLM-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N7OS/c23-19-15-4-2-1-3-14(15)11-22(19)6-9-29(10-7-22)20-16(13-30)27-18(12-26-20)31-17-5-8-25-21(24)28-17/h1-5,8,12,19,30H,6-7,9-11,13,23H2,(H2,24,25,28)/t19-/m1/s1.
What are the key properties of [6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol?
[6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol has a molecular weight of 435.56 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 154662929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).