1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone

C24H27N7OS — CID 172500518

IUPAC1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone
SMILESCC(=O)c1nc(Sc2ccnc(N)c2)c(N)nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C24H27N7OS/c1-14(32)19-22(30-21(27)23(29-19)33-16-6-9-28-18(25)12-16)31-10-7-24(8-11-31)13-15-4-2-3-5-17(15)20(24)26/h2-6,9,12,20H,7-8,10-11,13,26H2,1H3,(H2,25,28)(H2,27,30)/t20-/m1/s1
InChIKeyXBNDJXSUARQPCI-HXUWFJFHSA-N
MW461.60 g/mol
LogP3.23
Rot. Bonds4

About 1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone

1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone (PubChem CID 172500518) has the molecular formula C24H27N7OS and a molecular weight of 461.60 g/mol. Its IUPAC name is 1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone
PubChem CID172500518
Molecular FormulaC24H27N7OS
Molecular Weight461.60 g/mol
Exact Mass461.20
IUPAC Name1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone
SMILESCC(=O)c1nc(Sc2ccnc(N)c2)c(N)nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C24H27N7OS/c1-14(32)19-22(30-21(27)23(29-19)33-16-6-9-28-18(25)12-16)31-10-7-24(8-11-31)13-15-4-2-3-5-17(15)20(24)26/h2-6,9,12,20H,7-8,10-11,13,26H2,1H3,(H2,25,28)(H2,27,30)/t20-/m1/s1
InChIKeyXBNDJXSUARQPCI-HXUWFJFHSA-N
XLogP3.23
TPSA137.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone with MolForge

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Related Compounds

1-[5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]ethanone
CID 166885448
1-[5-amino-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-2-methoxyethanone
CID 172500566
1-[5-amino-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-[2-chloro-3-(1,3-oxazol-2-yl)phenyl]sulfanylpyrazin-2-yl]ethanone
CID 162383083
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 162352729
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-bromopyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 163936991
methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride
CID 155774294
(1S)-1'-[5-[(2-amino-3-methyl-4-pyridinyl)sulfanyl]-3-prop-1-ynylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 172500499
6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methylpyrimidin-4-one
CID 146537294
3-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]-N-methylprop-2-ynamide
CID 171454749
3-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]-3-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]prop-2-ynamide
CID 171454840
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-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide
CID 154662934

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone?
The IUPAC name of 1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone (CID 172500518) is 1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone.
What is the SMILES notation for 1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone?
The canonical SMILES for 1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone is CC(=O)c1nc(Sc2ccnc(N)c2)c(N)nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.
What is the InChIKey of 1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone?
The InChIKey is XBNDJXSUARQPCI-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N7OS/c1-14(32)19-22(30-21(27)23(29-19)33-16-6-9-28-18(25)12-16)31-10-7-24(8-11-31)13-15-4-2-3-5-17(15)20(24)26/h2-6,9,12,20H,7-8,10-11,13,26H2,1H3,(H2,25,28)(H2,27,30)/t20-/m1/s1.
What are the key properties of 1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone?
1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone has a molecular weight of 461.60 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-[(2-amino-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]ethanone is sourced from PubChem (CID 172500518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).