5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane

C51H53Cl5N10 — CID 158206248

IUPAC5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane
SMILESCC(C)N1CCC[C@](C)(Nc2nc(-c3ccncc3)c(-c3ccc(Cl)c(Cl)c3)c3nccn23)C1.CC1(C)CCCCC1.Clc1ccc(-c2c(-c3ccncc3)nc(Cl)n3ccnc23)cc1Cl
InChIInChI=1S/C26H28Cl2N6.C17H9Cl3N4.C8H16/c1-17(2)33-13-4-9-26(3,16-33)32-25-31-23(18-7-10-29-11-8-18)22(24-30-12-14-34(24)25)19-5-6-20(27)21(28)15-19;18-12-2-1-11(9-13(12)19)14-15(10-3-5-21-6-4-10)23-17(20)24-8-7-22-16(14)24;1-8(2)6-4-3-5-7-8/h5-8,10-12,14-15,17H,4,9,13,16H2,1-3H3,(H,31,32);1-9H;3-7H2,1-2H3/t26-;;/m0../s1
InChIKeyGBNKAIKZMAVXNF-ROPHLPQBSA-N
MW983.32 g/mol
LogP14.84
Rot. Bonds7

About 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane

5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane (PubChem CID 158206248) has the molecular formula C51H53Cl5N10 and a molecular weight of 983.32 g/mol. Its IUPAC name is 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane.

Molecular Properties

Compound Name5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane
PubChem CID158206248
Molecular FormulaC51H53Cl5N10
Molecular Weight983.32 g/mol
Exact Mass980.29
IUPAC Name5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane
SMILESCC(C)N1CCC[C@](C)(Nc2nc(-c3ccncc3)c(-c3ccc(Cl)c(Cl)c3)c3nccn23)C1.CC1(C)CCCCC1.Clc1ccc(-c2c(-c3ccncc3)nc(Cl)n3ccnc23)cc1Cl
InChIInChI=1S/C26H28Cl2N6.C17H9Cl3N4.C8H16/c1-17(2)33-13-4-9-26(3,16-33)32-25-31-23(18-7-10-29-11-8-18)22(24-30-12-14-34(24)25)19-5-6-20(27)21(28)15-19;18-12-2-1-11(9-13(12)19)14-15(10-3-5-21-6-4-10)23-17(20)24-8-7-22-16(14)24;1-8(2)6-4-3-5-7-8/h5-8,10-12,14-15,17H,4,9,13,16H2,1-3H3,(H,31,32);1-9H;3-7H2,1-2H3/t26-;;/m0../s1
InChIKeyGBNKAIKZMAVXNF-ROPHLPQBSA-N
XLogP14.84
TPSA101.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.32
LogP ≤ 514.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane with MolForge

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Related Compounds

Cyclohexyl-(4-(5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447873
2-(4-Chlorophenyl)-3-[[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 122183052
8-(4,4-dimethylcyclohexyl)-N-[5-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299684
(3-Chloro-benzyl)-{4-[8-(4-methyl-piperazin-1-yl)-imidazo [1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-amine
CID 66546138
N-{3-[2-(3-chloro-benzylamino)-pyrimidin-4-yl]-imidazo[1,2-a]pyrazin-8-yl}-cyclohexane-1,4-diamine
CID 66546140
1-(3-chloro-phenyl)-N1-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-ethane-1,2-diamine
CID 66546336
US11420970, Example 180
CID 156073156
US11420970, Example 196
CID 156073192
US11420970, Example 246
CID 156073202
US11420970, Example 191
CID 156073324
US11420970, Example 240
CID 156073385
US11420970, Example 205
CID 164850533

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane?
The IUPAC name of 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane (CID 158206248) is 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane.
What is the SMILES notation for 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane?
The canonical SMILES for 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane is CC(C)N1CCC[C@](C)(Nc2nc(-c3ccncc3)c(-c3ccc(Cl)c(Cl)c3)c3nccn23)C1.CC1(C)CCCCC1.Clc1ccc(-c2c(-c3ccncc3)nc(Cl)n3ccnc23)cc1Cl.
What is the InChIKey of 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane?
The InChIKey is GBNKAIKZMAVXNF-ROPHLPQBSA-N. The full InChI is InChI=1S/C26H28Cl2N6.C17H9Cl3N4.C8H16/c1-17(2)33-13-4-9-26(3,16-33)32-25-31-23(18-7-10-29-11-8-18)22(24-30-12-14-34(24)25)19-5-6-20(27)21(28)15-19;18-12-2-1-11(9-13(12)19)14-15(10-3-5-21-6-4-10)23-17(20)24-8-7-22-16(14)24;1-8(2)6-4-3-5-7-8/h5-8,10-12,14-15,17H,4,9,13,16H2,1-3H3,(H,31,32);1-9H;3-7H2,1-2H3/t26-;;/m0../s1.
What are the key properties of 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane?
5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane has a molecular weight of 983.32 g/mol, XLogP of 14.84, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-ylimidazo[1,2-c]pyrimidine;8-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1-propan-2-ylpiperidin-3-yl]-7-pyridin-4-ylimidazo[1,2-c]pyrimidin-5-amine;1,1-dimethylcyclohexane is sourced from PubChem (CID 158206248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).