3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide

C24H23Cl2N5OS — CID 154662934

IUPAC3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide
SMILESNC(=O)c1nc(Sc2cccc(Cl)c2Cl)cnc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C24H23Cl2N5OS/c25-16-6-3-7-17(19(16)26)33-18-13-29-23(20(30-18)22(28)32)31-10-8-24(9-11-31)12-14-4-1-2-5-15(14)21(24)27/h1-7,13,21H,8-12,27H2,(H2,28,32)/t21-/m1/s1
InChIKeyBKXIBMWVHRADGP-OAQYLSRUSA-N
MW500.46 g/mol
LogP4.88
Rot. Bonds4

About 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide

3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide (PubChem CID 154662934) has the molecular formula C24H23Cl2N5OS and a molecular weight of 500.46 g/mol. Its IUPAC name is 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide
PubChem CID154662934
Molecular FormulaC24H23Cl2N5OS
Molecular Weight500.46 g/mol
Exact Mass499.10
IUPAC Name3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide
SMILESNC(=O)c1nc(Sc2cccc(Cl)c2Cl)cnc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C24H23Cl2N5OS/c25-16-6-3-7-17(19(16)26)33-18-13-29-23(20(30-18)22(28)32)31-10-8-24(9-11-31)12-14-4-1-2-5-15(14)21(24)27/h1-7,13,21H,8-12,27H2,(H2,28,32)/t21-/m1/s1
InChIKeyBKXIBMWVHRADGP-OAQYLSRUSA-N
XLogP4.88
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[[3-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]sulfanyl]pyrazine-2-carboxamide
CID 154662917
1-[5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]ethanone
CID 166885448
(1R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047994
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide
CID 155035659
N-[3-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropyridine-2-carboxamide
CID 177380213
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile
CID 154662889
(1S)-1'-[2-(2,3-dichlorophenyl)sulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100493
(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146466979
6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 155095692
1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-2,2,2-trifluoroethanol
CID 154662904
1-[4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1,2,4-triazin-6-yl]sulfanyl]-3-chloro-2-pyridinyl]piperidin-4-ol
CID 155187133
4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1H-pyridin-2-one
CID 142434039

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide?
The IUPAC name of 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide (CID 154662934) is 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide?
The canonical SMILES for 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide is NC(=O)c1nc(Sc2cccc(Cl)c2Cl)cnc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.
What is the InChIKey of 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide?
The InChIKey is BKXIBMWVHRADGP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23Cl2N5OS/c25-16-6-3-7-17(19(16)26)33-18-13-29-23(20(30-18)22(28)32)31-10-8-24(9-11-31)12-14-4-1-2-5-15(14)21(24)27/h1-7,13,21H,8-12,27H2,(H2,28,32)/t21-/m1/s1.
What are the key properties of 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide?
3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide has a molecular weight of 500.46 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide is sourced from PubChem (CID 154662934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).