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

C22H24ClN7S — CID 135337592

IUPAC(2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine
SMILESNc1nc(N2CCC3(CC2)c2ccccc2C[C@H]3N)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C22H24ClN7S/c23-18-15(5-8-27-19(18)25)31-21-20(26)29-17(12-28-21)30-9-6-22(7-10-30)14-4-2-1-3-13(14)11-16(22)24/h1-5,8,12,16H,6-7,9-11,24H2,(H2,25,27)(H2,26,29)/t16-/m1/s1
InChIKeyLIUGYEURYFTFFQ-MRXNPFEDSA-N
MW454.00 g/mol
LogP3.26
Rot. Bonds3

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

(2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine (PubChem CID 135337592) has the molecular formula C22H24ClN7S and a molecular weight of 454.00 g/mol. Its IUPAC name is (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine.

Molecular Properties

Compound Name(2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine
PubChem CID135337592
Molecular FormulaC22H24ClN7S
Molecular Weight454.00 g/mol
Exact Mass453.15
IUPAC Name(2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine
SMILESNc1nc(N2CCC3(CC2)c2ccccc2C[C@H]3N)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C22H24ClN7S/c23-18-15(5-8-27-19(18)25)31-21-20(26)29-17(12-28-21)30-9-6-22(7-10-30)14-4-2-1-3-13(14)11-16(22)24/h1-5,8,12,16H,6-7,9-11,24H2,(H2,25,27)(H2,26,29)/t16-/m1/s1
InChIKeyLIUGYEURYFTFFQ-MRXNPFEDSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine?
The IUPAC name of (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine (CID 135337592) is (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine.
What is the SMILES notation for (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine?
The canonical SMILES for (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine is Nc1nc(N2CCC3(CC2)c2ccccc2C[C@H]3N)cnc1Sc1ccnc(N)c1Cl.
What is the InChIKey of (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine?
The InChIKey is LIUGYEURYFTFFQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24ClN7S/c23-18-15(5-8-27-19(18)25)31-21-20(26)29-17(12-28-21)30-9-6-22(7-10-30)14-4-2-1-3-13(14)11-16(22)24/h1-5,8,12,16H,6-7,9-11,24H2,(H2,25,27)(H2,26,29)/t16-/m1/s1.
What are the key properties of (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine?
(2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine has a molecular weight of 454.00 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine is sourced from PubChem (CID 135337592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).