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

C22H23Cl2N7S — CID 142433883

IUPAC1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1nc(N2CCC3(CC2)Cc2ccc(Cl)cc2C3N)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C22H23Cl2N7S/c23-13-2-1-12-10-22(18(25)14(12)9-13)4-7-31(8-5-22)16-11-29-21(20(27)30-16)32-15-3-6-28-19(26)17(15)24/h1-3,6,9,11,18H,4-5,7-8,10,25H2,(H2,26,28)(H2,27,30)
InChIKeyALLWSORPTQGNKS-UHFFFAOYSA-N
MW488.45 g/mol
LogP4.34
Rot. Bonds3

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

1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 142433883) has the molecular formula C22H23Cl2N7S and a molecular weight of 488.45 g/mol. Its IUPAC name is 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID142433883
Molecular FormulaC22H23Cl2N7S
Molecular Weight488.45 g/mol
Exact Mass487.11
IUPAC Name1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1nc(N2CCC3(CC2)Cc2ccc(Cl)cc2C3N)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C22H23Cl2N7S/c23-13-2-1-12-10-22(18(25)14(12)9-13)4-7-31(8-5-22)16-11-29-21(20(27)30-16)32-15-3-6-28-19(26)17(15)24/h1-3,6,9,11,18H,4-5,7-8,10,25H2,(H2,26,28)(H2,27,30)
InChIKeyALLWSORPTQGNKS-UHFFFAOYSA-N
XLogP4.34
TPSA119.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.45
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of 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) is 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Nc1nc(N2CCC3(CC2)Cc2ccc(Cl)cc2C3N)cnc1Sc1ccnc(N)c1Cl.
What is the InChIKey of 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is ALLWSORPTQGNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N7S/c23-13-2-1-12-10-22(18(25)14(12)9-13)4-7-31(8-5-22)16-11-29-21(20(27)30-16)32-15-3-6-28-19(26)17(15)24/h1-3,6,9,11,18H,4-5,7-8,10,25H2,(H2,26,28)(H2,27,30).
What are the key properties of 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 488.45 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 142433883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).