3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C71H68BrCl6N17O — CID 163749666

IUPAC3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(Br)nc1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(C#N)nc1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(C(N)=O)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C24H24Cl2N6O.C24H22Cl2N6.C23H22BrCl2N5/c1-13-19(15-4-2-6-16(25)18(15)26)31-20(22(28)33)23(30-13)32-10-7-24(8-11-32)12-17-14(21(24)27)5-3-9-29-17;1-14-21(16-4-2-6-17(25)20(16)26)31-19(13-27)23(30-14)32-10-7-24(8-11-32)12-18-15(22(24)28)5-3-9-29-18;1-13-19(15-4-2-6-16(25)18(15)26)30-21(24)22(29-13)31-10-7-23(8-11-31)12-17-14(20(23)27)5-3-9-28-17/h2-6,9,21H,7-8,10-12,27H2,1H3,(H2,28,33);2-6,9,22H,7-8,10-12,28H2,1H3;2-6,9,20H,7-8,10-12,27H2,1H3/t21-;22-;20-/m111/s1
InChIKeyLOXMMVTYKHNLPV-CZZQIYDGSA-N
MW1468.06 g/mol
LogP14.72
Rot. Bonds7

About 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 163749666) has the molecular formula C71H68BrCl6N17O and a molecular weight of 1468.06 g/mol. Its IUPAC name is 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID163749666
Molecular FormulaC71H68BrCl6N17O
Molecular Weight1468.06 g/mol
Exact Mass1463.31
IUPAC Name3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(Br)nc1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(C#N)nc1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(C(N)=O)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C24H24Cl2N6O.C24H22Cl2N6.C23H22BrCl2N5/c1-13-19(15-4-2-6-16(25)18(15)26)31-20(22(28)33)23(30-13)32-10-7-24(8-11-32)12-17-14(21(24)27)5-3-9-29-17;1-14-21(16-4-2-6-17(25)20(16)26)31-19(13-27)23(30-14)32-10-7-24(8-11-32)12-18-15(22(24)28)5-3-9-29-18;1-13-19(15-4-2-6-16(25)18(15)26)30-21(24)22(29-13)31-10-7-23(8-11-31)12-17-14(20(23)27)5-3-9-28-17/h2-6,9,21H,7-8,10-12,27H2,1H3,(H2,28,33);2-6,9,22H,7-8,10-12,28H2,1H3;2-6,9,20H,7-8,10-12,27H2,1H3/t21-;22-;20-/m111/s1
InChIKeyLOXMMVTYKHNLPV-CZZQIYDGSA-N
XLogP14.72
TPSA270.67 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001468.06
LogP ≤ 514.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine with MolForge

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Related Compounds

3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide
CID 146537275
(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 163519040
sodium;5-amino-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carbonitrile;5-amino-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(5S)-1'-[6-amino-3-bromo-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-bromo-6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;1,2-dichloro-3-iodobenzene;sulfanide
CID 163795425
3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methyl-1H-pyrazin-2-one;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 164005626

Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 163749666) is 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(Br)nc1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(C#N)nc1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(C(N)=O)nc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is LOXMMVTYKHNLPV-CZZQIYDGSA-N. The full InChI is InChI=1S/C24H24Cl2N6O.C24H22Cl2N6.C23H22BrCl2N5/c1-13-19(15-4-2-6-16(25)18(15)26)31-20(22(28)33)23(30-13)32-10-7-24(8-11-32)12-17-14(21(24)27)5-3-9-29-17;1-14-21(16-4-2-6-17(25)20(16)26)31-19(13-27)23(30-14)32-10-7-24(8-11-32)12-18-15(22(24)28)5-3-9-29-18;1-13-19(15-4-2-6-16(25)18(15)26)30-21(24)22(29-13)31-10-7-23(8-11-31)12-17-14(20(23)27)5-3-9-28-17/h2-6,9,21H,7-8,10-12,27H2,1H3,(H2,28,33);2-6,9,22H,7-8,10-12,28H2,1H3;2-6,9,20H,7-8,10-12,27H2,1H3/t21-;22-;20-/m111/s1.
What are the key properties of 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 1468.06 g/mol, XLogP of 14.72, 7 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carbonitrile;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide;(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 163749666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).