[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine

C104H116Cl10N24O2S3 — CID 165063685

IUPAC[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c3nccn23)CC1.Cc1cc(N2CCC3(CCCC3N)CC2)n2c(CO)cnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(N)CC2)n2ccnc2c1Sc1cccc(Cl)c1Cl.NC1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c3ncc(CO)n13)CC2.N[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C24H28Cl2N4O.C22H25Cl2N5OS.C21H23Cl2N5S.C19H21Cl2N5S.C18H19Cl2N5/c1-15-12-20(29-10-8-24(9-11-29)7-3-6-19(24)27)30-16(14-31)13-28-23(30)21(15)17-4-2-5-18(25)22(17)26;23-15-3-1-4-16(19(15)24)31-21-20-26-11-14(13-30)29(20)18(12-27-21)28-9-7-22(8-10-28)6-2-5-17(22)25;22-14-3-1-4-15(18(14)23)29-20-19-25-9-12-28(19)17(13-26-20)27-10-7-21(8-11-27)6-2-5-16(21)24;1-12-16(27-14-5-3-4-13(20)15(14)21)17-23-8-11-26(17)18(24-12)25-9-6-19(2,22)7-10-25;1-18(21)5-8-24(9-6-18)14-11-23-16(17-22-7-10-25(14)17)12-3-2-4-13(19)15(12)20/h2,4-5,12-13,19,31H,3,6-11,14,27H2,1H3;1,3-4,11-12,17,30H,2,5-10,13,25H2;1,3-4,9,12-13,16H,2,5-8,10-11,24H2;3-5,8,11H,6-7,9-10,22H2,1-2H3;2-4,7,10-11H,5-6,8-9,21H2,1H3/t;;16-;;/m..1../s1
InChIKeyRPRLTFNBAKAISI-DCLDFRDVSA-N
MW2184.97 g/mol
LogP24.10
Rot. Bonds15

About [5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine

[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine (PubChem CID 165063685) has the molecular formula C104H116Cl10N24O2S3 and a molecular weight of 2184.97 g/mol. Its IUPAC name is [5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine
PubChem CID165063685
Molecular FormulaC104H116Cl10N24O2S3
Molecular Weight2184.97 g/mol
Exact Mass2178.58
IUPAC Name[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c3nccn23)CC1.Cc1cc(N2CCC3(CCCC3N)CC2)n2c(CO)cnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(N)CC2)n2ccnc2c1Sc1cccc(Cl)c1Cl.NC1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c3ncc(CO)n13)CC2.N[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C24H28Cl2N4O.C22H25Cl2N5OS.C21H23Cl2N5S.C19H21Cl2N5S.C18H19Cl2N5/c1-15-12-20(29-10-8-24(9-11-29)7-3-6-19(24)27)30-16(14-31)13-28-23(30)21(15)17-4-2-5-18(25)22(17)26;23-15-3-1-4-16(19(15)24)31-21-20-26-11-14(13-30)29(20)18(12-27-21)28-9-7-22(8-10-28)6-2-5-17(22)25;22-14-3-1-4-15(18(14)23)29-20-19-25-9-12-28(19)17(13-26-20)27-10-7-21(8-11-27)6-2-5-16(21)24;1-12-16(27-14-5-3-4-13(20)15(14)21)17-23-8-11-26(17)18(24-12)25-9-6-19(2,22)7-10-25;1-18(21)5-8-24(9-6-18)14-11-23-16(17-22-7-10-25(14)17)12-3-2-4-13(19)15(12)20/h2,4-5,12-13,19,31H,3,6-11,14,27H2,1H3;1,3-4,11-12,17,30H,2,5-10,13,25H2;1,3-4,9,12-13,16H,2,5-8,10-11,24H2;3-5,8,11H,6-7,9-10,22H2,1-2H3;2-4,7,10-11H,5-6,8-9,21H2,1H3/t;;16-;;/m..1../s1
InChIKeyRPRLTFNBAKAISI-DCLDFRDVSA-N
XLogP24.10
TPSA324.82 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds15
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002184.97
LogP ≤ 524.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze [5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine?
The IUPAC name of [5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine (CID 165063685) is [5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for [5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for [5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c3nccn23)CC1.Cc1cc(N2CCC3(CCCC3N)CC2)n2c(CO)cnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(N)CC2)n2ccnc2c1Sc1cccc(Cl)c1Cl.NC1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c3ncc(CO)n13)CC2.N[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of [5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine?
The InChIKey is RPRLTFNBAKAISI-DCLDFRDVSA-N. The full InChI is InChI=1S/C24H28Cl2N4O.C22H25Cl2N5OS.C21H23Cl2N5S.C19H21Cl2N5S.C18H19Cl2N5/c1-15-12-20(29-10-8-24(9-11-29)7-3-6-19(24)27)30-16(14-31)13-28-23(30)21(15)17-4-2-5-18(25)22(17)26;23-15-3-1-4-16(19(15)24)31-21-20-26-11-14(13-30)29(20)18(12-27-21)28-9-7-22(8-10-28)6-2-5-17(22)25;22-14-3-1-4-15(18(14)23)29-20-19-25-9-12-28(19)17(13-26-20)27-10-7-21(8-11-27)6-2-5-16(21)24;1-12-16(27-14-5-3-4-13(20)15(14)21)17-23-8-11-26(17)18(24-12)25-9-6-19(2,22)7-10-25;1-18(21)5-8-24(9-6-18)14-11-23-16(17-22-7-10-25(14)17)12-3-2-4-13(19)15(12)20/h2,4-5,12-13,19,31H,3,6-11,14,27H2,1H3;1,3-4,11-12,17,30H,2,5-10,13,25H2;1,3-4,9,12-13,16H,2,5-8,10-11,24H2;3-5,8,11H,6-7,9-10,22H2,1-2H3;2-4,7,10-11H,5-6,8-9,21H2,1H3/t;;16-;;/m..1../s1.
What are the key properties of [5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine?
[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine has a molecular weight of 2184.97 g/mol, XLogP of 24.10, 15 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methanol;[5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 165063685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).