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

C22H24ClN7S — CID 142433994

IUPAC(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C22H24ClN7S/c23-17-15(5-8-27-19(17)25)31-21-20(26)29-16(12-28-21)30-9-6-22(7-10-30)11-13-3-1-2-4-14(13)18(22)24/h1-5,8,12,18H,6-7,9-11,24H2,(H2,25,27)(H2,26,29)/t18-/m1/s1
InChIKeyOSKLARGYVMOWIX-GOSISDBHSA-N
MW454.00 g/mol
LogP3.68
Rot. Bonds3

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

(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 142433994) has the molecular formula C22H24ClN7S and a molecular weight of 454.00 g/mol. Its IUPAC name is (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID142433994
Molecular FormulaC22H24ClN7S
Molecular Weight454.00 g/mol
Exact Mass453.15
IUPAC Name(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C22H24ClN7S/c23-17-15(5-8-27-19(17)25)31-21-20(26)29-16(12-28-21)30-9-6-22(7-10-30)11-13-3-1-2-4-14(13)18(22)24/h1-5,8,12,18H,6-7,9-11,24H2,(H2,25,27)(H2,26,29)/t18-/m1/s1
InChIKeyOSKLARGYVMOWIX-GOSISDBHSA-N
XLogP3.68
TPSA119.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.00
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 142433994) is (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Nc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl.
What is the InChIKey of (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is OSKLARGYVMOWIX-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24ClN7S/c23-17-15(5-8-27-19(17)25)31-21-20(26)29-16(12-28-21)30-9-6-22(7-10-30)11-13-3-1-2-4-14(13)18(22)24/h1-5,8,12,18H,6-7,9-11,24H2,(H2,25,27)(H2,26,29)/t18-/m1/s1.
What are the key properties of (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 454.00 g/mol, XLogP of 3.68, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 142433994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).