(4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine

C101H120Cl9N29O3S — CID 164948475

IUPAC(4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine
SMILESCOc1nc(N2CCC(C)(N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(N)CC2)n2c(CN(C)C)cnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(N)CC2)n2c(CO)cnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(N)CC2)n2cc(CO)nc2c1-c1cccc(Cl)c1Cl.Nc1nccc(Sc2c(N)nc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl
InChIInChI=1S/C22H28Cl2N6.2C20H23Cl2N5O.C20H25ClN8S.C19H21Cl2N5O/c1-14-18(16-6-5-7-17(23)19(16)24)20-26-12-15(13-28(3)4)30(20)21(27-14)29-10-8-22(2,25)9-11-29;1-12-16(14-4-3-5-15(21)17(14)22)18-25-13(11-28)10-27(18)19(24-12)26-8-6-20(2,23)7-9-26;1-12-16(14-4-3-5-15(21)17(14)22)18-24-10-13(11-28)27(18)19(25-12)26-8-6-20(2,23)7-9-26;21-14-12(3-7-25-16(14)23)30-15-17(24)27-19(29-11-8-26-18(15)29)28-9-5-20(6-10-28)4-1-2-13(20)22;1-19(22)6-9-25(10-7-19)18-24-17(27-2)14(16-23-8-11-26(16)18)12-4-3-5-13(20)15(12)21/h5-7,12H,8-11,13,25H2,1-4H3;2*3-5,10,28H,6-9,11,23H2,1-2H3;3,7-8,11,13H,1-2,4-6,9-10,22,24H2,(H2,23,25);3-5,8,11H,6-7,9-10,22H2,1-2H3/t;;;13-;/m...1./s1
InChIKeyAEVNOOZNLULBKS-OMTVLGNXSA-N
MW2139.41 g/mol
LogP19.25
Rot. Bonds16

About (4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine

(4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine (PubChem CID 164948475) has the molecular formula C101H120Cl9N29O3S and a molecular weight of 2139.41 g/mol. Its IUPAC name is (4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name(4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine
PubChem CID164948475
Molecular FormulaC101H120Cl9N29O3S
Molecular Weight2139.41 g/mol
Exact Mass2133.70
IUPAC Name(4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine
SMILESCOc1nc(N2CCC(C)(N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(N)CC2)n2c(CN(C)C)cnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(N)CC2)n2c(CO)cnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(N)CC2)n2cc(CO)nc2c1-c1cccc(Cl)c1Cl.Nc1nccc(Sc2c(N)nc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl
InChIInChI=1S/C22H28Cl2N6.2C20H23Cl2N5O.C20H25ClN8S.C19H21Cl2N5O/c1-14-18(16-6-5-7-17(23)19(16)24)20-26-12-15(13-28(3)4)30(20)21(27-14)29-10-8-22(2,25)9-11-29;1-12-16(14-4-3-5-15(21)17(14)22)18-25-13(11-28)10-27(18)19(24-12)26-8-6-20(2,23)7-9-26;1-12-16(14-4-3-5-15(21)17(14)22)18-24-10-13(11-28)27(18)19(25-12)26-8-6-20(2,23)7-9-26;21-14-12(3-7-25-16(14)23)30-15-17(24)27-19(29-11-8-26-18(15)29)28-9-5-20(6-10-28)4-1-2-13(20)22;1-19(22)6-9-25(10-7-19)18-24-17(27-2)14(16-23-8-11-26(16)18)12-4-3-5-13(20)15(12)21/h5-7,12H,8-11,13,25H2,1-4H3;2*3-5,10,28H,6-9,11,23H2,1-2H3;3,7-8,11,13H,1-2,4-6,9-10,22,24H2,(H2,23,25);3-5,8,11H,6-7,9-10,22H2,1-2H3/t;;;13-;/m...1./s1
InChIKeyAEVNOOZNLULBKS-OMTVLGNXSA-N
XLogP19.25
TPSA415.11 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds16
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002139.41
LogP ≤ 519.25
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze (4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[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 (4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine?
The IUPAC name of (4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine (CID 164948475) is (4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for (4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for (4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine is COc1nc(N2CCC(C)(N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(N)CC2)n2c(CN(C)C)cnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(N)CC2)n2c(CO)cnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC(C)(N)CC2)n2cc(CO)nc2c1-c1cccc(Cl)c1Cl.Nc1nccc(Sc2c(N)nc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl.
What is the InChIKey of (4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine?
The InChIKey is AEVNOOZNLULBKS-OMTVLGNXSA-N. The full InChI is InChI=1S/C22H28Cl2N6.2C20H23Cl2N5O.C20H25ClN8S.C19H21Cl2N5O/c1-14-18(16-6-5-7-17(23)19(16)24)20-26-12-15(13-28(3)4)30(20)21(27-14)29-10-8-22(2,25)9-11-29;1-12-16(14-4-3-5-15(21)17(14)22)18-25-13(11-28)10-27(18)19(24-12)26-8-6-20(2,23)7-9-26;1-12-16(14-4-3-5-15(21)17(14)22)18-24-10-13(11-28)27(18)19(25-12)26-8-6-20(2,23)7-9-26;21-14-12(3-7-25-16(14)23)30-15-17(24)27-19(29-11-8-26-18(15)29)28-9-5-20(6-10-28)4-1-2-13(20)22;1-19(22)6-9-25(10-7-19)18-24-17(27-2)14(16-23-8-11-26(16)18)12-4-3-5-13(20)15(12)21/h5-7,12H,8-11,13,25H2,1-4H3;2*3-5,10,28H,6-9,11,23H2,1-2H3;3,7-8,11,13H,1-2,4-6,9-10,22,24H2,(H2,23,25);3-5,8,11H,6-7,9-10,22H2,1-2H3/t;;;13-;/m...1./s1.
What are the key properties of (4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine?
(4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine has a molecular weight of 2139.41 g/mol, XLogP of 19.25, 16 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-2-yl]methanol;[5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-3-yl]methanol;1-[8-(2,3-dichlorophenyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;1-[8-(2,3-dichlorophenyl)-7-methoxyimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 164948475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).