3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine

C26H29ClN6OS — CID 166781287

IUPAC3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine
SMILESNc1nc(N2CCC3(CC2)Cc2ccccc2C3)cnc1Sc1ccnc(N2CCOCC2)c1Cl
InChIInChI=1S/C26H29ClN6OS/c27-22-20(5-8-29-24(22)33-11-13-34-14-12-33)35-25-23(28)31-21(17-30-25)32-9-6-26(7-10-32)15-18-3-1-2-4-19(18)16-26/h1-5,8,17H,6-7,9-16H2,(H2,28,31)
InChIKeyKNBHNEGLVIRDKM-UHFFFAOYSA-N
MW509.08 g/mol
LogP4.48
Rot. Bonds4

About 3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine

3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine (PubChem CID 166781287) has the molecular formula C26H29ClN6OS and a molecular weight of 509.08 g/mol. Its IUPAC name is 3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine
PubChem CID166781287
Molecular FormulaC26H29ClN6OS
Molecular Weight509.08 g/mol
Exact Mass508.18
IUPAC Name3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine
SMILESNc1nc(N2CCC3(CC2)Cc2ccccc2C3)cnc1Sc1ccnc(N2CCOCC2)c1Cl
InChIInChI=1S/C26H29ClN6OS/c27-22-20(5-8-29-24(22)33-11-13-34-14-12-33)35-25-23(28)31-21(17-30-25)32-9-6-26(7-10-32)15-18-3-1-2-4-19(18)16-26/h1-5,8,17H,6-7,9-16H2,(H2,28,31)
InChIKeyKNBHNEGLVIRDKM-UHFFFAOYSA-N
XLogP4.48
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.08
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(3-amino-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanyl-3-chloro-2-pyridinyl]azetidin-2-one
CID 166781377
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine
CID 142434017
3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine
CID 163831275
(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
2-[1-[4-[3-amino-5-[(4R)-4-amino-8-azadispiro[2.1.55.23]dodecan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol
CID 162523206
[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 118239415
(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-1-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 118247899
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 142433936
7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 123271805
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
3-(3-amino-2-chlorophenyl)sulfanyl-6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine;2-methylpropane;thiohydroxylamine
CID 144887467

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine?
The IUPAC name of 3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine (CID 166781287) is 3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine.
What is the SMILES notation for 3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine?
The canonical SMILES for 3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine is Nc1nc(N2CCC3(CC2)Cc2ccccc2C3)cnc1Sc1ccnc(N2CCOCC2)c1Cl.
What is the InChIKey of 3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine?
The InChIKey is KNBHNEGLVIRDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6OS/c27-22-20(5-8-29-24(22)33-11-13-34-14-12-33)35-25-23(28)31-21(17-30-25)32-9-6-26(7-10-32)15-18-3-1-2-4-19(18)16-26/h1-5,8,17H,6-7,9-16H2,(H2,28,31).
What are the key properties of 3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine?
3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine has a molecular weight of 509.08 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine is sourced from PubChem (CID 166781287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).