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

C24H28ClN7OS — CID 163833910

IUPAC2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol
SMILESNc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cnc1Sc1ccnc(NCCO)c1Cl
InChIInChI=1S/C24H28ClN7OS/c25-19-17(5-8-28-22(19)29-9-12-33)34-23-21(27)31-18(14-30-23)32-10-6-24(7-11-32)13-15-3-1-2-4-16(15)20(24)26/h1-5,8,14,20,33H,6-7,9-13,26H2,(H2,27,31)(H,28,29)/t20-/m1/s1
InChIKeyOGAQQKUCSONKQZ-HXUWFJFHSA-N
MW498.06 g/mol
LogP3.51
Rot. Bonds6

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

2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol (PubChem CID 163833910) has the molecular formula C24H28ClN7OS and a molecular weight of 498.06 g/mol. Its IUPAC name is 2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol
PubChem CID163833910
Molecular FormulaC24H28ClN7OS
Molecular Weight498.06 g/mol
Exact Mass497.18
IUPAC Name2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol
SMILESNc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cnc1Sc1ccnc(NCCO)c1Cl
InChIInChI=1S/C24H28ClN7OS/c25-19-17(5-8-28-22(19)29-9-12-33)34-23-21(27)31-18(14-30-23)32-10-6-24(7-11-32)13-15-3-1-2-4-16(15)20(24)26/h1-5,8,14,20,33H,6-7,9-13,26H2,(H2,27,31)(H,28,29)/t20-/m1/s1
InChIKeyOGAQQKUCSONKQZ-HXUWFJFHSA-N
XLogP3.51
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.06
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Related Compounds

(1S)-1'-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155385229
(5S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 135337300
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 142433883
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155385295
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-dimethylphosphorylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 135337862
3-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]prop-2-ynylurea
CID 170431359
(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
(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide
CID 142434126
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-diethoxyphosphorylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155403863
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155385238
(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 155774186
7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 123271805

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol (CID 163833910) is 2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol is Nc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cnc1Sc1ccnc(NCCO)c1Cl.
What is the InChIKey of 2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol?
The InChIKey is OGAQQKUCSONKQZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28ClN7OS/c25-19-17(5-8-28-22(19)29-9-12-33)34-23-21(27)31-18(14-30-23)32-10-6-24(7-11-32)13-15-3-1-2-4-16(15)20(24)26/h1-5,8,14,20,33H,6-7,9-13,26H2,(H2,27,31)(H,28,29)/t20-/m1/s1.
What are the key properties of 2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol?
2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol has a molecular weight of 498.06 g/mol, XLogP of 3.51, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 163833910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).