(4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

C109H124Cl10N26O3 — CID 163579925

IUPAC(4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccnc(Cl)c1Cl
InChIInChI=1S/3C22H25Cl2N5O.C22H25Cl2N5.C21H24Cl2N6/c3*1-13-17(15-4-3-5-16(23)18(15)24)20-26-8-11-29(20)21(27-13)28-9-6-22(7-10-28)12-30-14(2)19(22)25;1-14-18(15-4-2-5-16(23)19(15)24)20-26-10-13-29(20)21(27-14)28-11-8-22(9-12-28)7-3-6-17(22)25;1-13-16(14-4-8-25-18(23)17(14)22)19-26-9-12-29(19)20(27-13)28-10-6-21(7-11-28)5-2-3-15(21)24/h3*3-5,8,11,14,19H,6-7,9-10,12,25H2,1-2H3;2,4-5,10,13,17H,3,6-9,11-12,25H2,1H3;4,8-9,12,15H,2-3,5-7,10-11,24H2,1H3/t3*14-,19+;17-;15-/m00011/s1
InChIKeyGGQYUSLYOXFAMX-VRDBQXGFSA-N
MW2200.90 g/mol
LogP22.65
Rot. Bonds10

About (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

(4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 163579925) has the molecular formula C109H124Cl10N26O3 and a molecular weight of 2200.90 g/mol. Its IUPAC name is (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID163579925
Molecular FormulaC109H124Cl10N26O3
Molecular Weight2200.90 g/mol
Exact Mass2194.72
IUPAC Name(4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccnc(Cl)c1Cl
InChIInChI=1S/3C22H25Cl2N5O.C22H25Cl2N5.C21H24Cl2N6/c3*1-13-17(15-4-3-5-16(23)18(15)24)20-26-8-11-29(20)21(27-13)28-9-6-22(7-10-28)12-30-14(2)19(22)25;1-14-18(15-4-2-5-16(23)19(15)24)20-26-10-13-29(20)21(27-14)28-11-8-22(9-12-28)7-3-6-17(22)25;1-13-16(14-4-8-25-18(23)17(14)22)19-26-9-12-29(19)20(27-13)28-10-6-21(7-11-28)5-2-3-15(21)24/h3*3-5,8,11,14,19H,6-7,9-10,12,25H2,1-2H3;2,4-5,10,13,17H,3,6-9,11-12,25H2,1H3;4,8-9,12,15H,2-3,5-7,10-11,24H2,1H3/t3*14-,19+;17-;15-/m00011/s1
InChIKeyGGQYUSLYOXFAMX-VRDBQXGFSA-N
XLogP22.65
TPSA337.83 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds10
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002200.90
LogP ≤ 522.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 163579925) is (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccnc(Cl)c1Cl.
What is the InChIKey of (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is GGQYUSLYOXFAMX-VRDBQXGFSA-N. The full InChI is InChI=1S/3C22H25Cl2N5O.C22H25Cl2N5.C21H24Cl2N6/c3*1-13-17(15-4-3-5-16(23)18(15)24)20-26-8-11-29(20)21(27-13)28-9-6-22(7-10-28)12-30-14(2)19(22)25;1-14-18(15-4-2-5-16(23)19(15)24)20-26-10-13-29(20)21(27-14)28-11-8-22(9-12-28)7-3-6-17(22)25;1-13-16(14-4-8-25-18(23)17(14)22)19-26-9-12-29(19)20(27-13)28-10-6-21(7-11-28)5-2-3-15(21)24/h3*3-5,8,11,14,19H,6-7,9-10,12,25H2,1-2H3;2,4-5,10,13,17H,3,6-9,11-12,25H2,1H3;4,8-9,12,15H,2-3,5-7,10-11,24H2,1H3/t3*14-,19+;17-;15-/m00011/s1.
What are the key properties of (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 2200.90 g/mol, XLogP of 22.65, 10 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;tris((3S,4S)-8-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine);(4R)-8-[8-(2,3-dichloro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 163579925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).