6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine

C57H58Cl2F6N12O5 — CID 158971569

IUPAC6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine
SMILESC.CCc1nc2ncc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.CCc1nc2ncc(Cl)cn2c1C(=O)O.NCc1ccc(N2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1
InChIInChI=1S/C28H26ClF3N6O2.C19H20F3N3O.C9H8ClN3O2.CH4/c1-2-23-24(38-13-19(29)12-34-26(38)35-23)25(39)33-11-18-3-5-20(6-4-18)36-14-27(15-36)16-37(17-27)21-7-9-22(10-8-21)40-28(30,31)32;20-19(21,22)26-17-7-5-16(6-8-17)25-12-18(13-25)10-24(11-18)15-3-1-14(9-23)2-4-15;1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;/h3-10,12-13H,2,11,14-17H2,1H3,(H,33,39);1-8H,9-13,23H2;3-4H,2H2,1H3,(H,14,15);1H4
InChIKeyJNWRMZLUAHBRRF-UHFFFAOYSA-N
MW1176.06 g/mol
LogP10.75
Rot. Bonds13

About 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine

6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine (PubChem CID 158971569) has the molecular formula C57H58Cl2F6N12O5 and a molecular weight of 1176.06 g/mol. Its IUPAC name is 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine.

Molecular Properties

Compound Name6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine
PubChem CID158971569
Molecular FormulaC57H58Cl2F6N12O5
Molecular Weight1176.06 g/mol
Exact Mass1174.39
IUPAC Name6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine
SMILESC.CCc1nc2ncc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.CCc1nc2ncc(Cl)cn2c1C(=O)O.NCc1ccc(N2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1
InChIInChI=1S/C28H26ClF3N6O2.C19H20F3N3O.C9H8ClN3O2.CH4/c1-2-23-24(38-13-19(29)12-34-26(38)35-23)25(39)33-11-18-3-5-20(6-4-18)36-14-27(15-36)16-37(17-27)21-7-9-22(10-8-21)40-28(30,31)32;20-19(21,22)26-17-7-5-16(6-8-17)25-12-18(13-25)10-24(11-18)15-3-1-14(9-23)2-4-15;1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;/h3-10,12-13H,2,11,14-17H2,1H3,(H,33,39);1-8H,9-13,23H2;3-4H,2H2,1H3,(H,14,15);1H4
InChIKeyJNWRMZLUAHBRRF-UHFFFAOYSA-N
XLogP10.75
TPSA184.22 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001176.06
LogP ≤ 510.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide
CID 124171040
6-chloro-2-ethyl-N-[[4-[7-[4-(trifluoromethoxy)phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 124171087
6-chloro-2-ethyl-N-[[4-[7-[4-(trifluoromethoxy)phenyl]-2,7-diazaspiro[3.4]octan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 124171108
6-chloro-2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 124171155
6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,7-diazaspiro[3.4]octan-7-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 129908125
6-chloro-2-ethyl-N-[[4-[6-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 129908651
6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 132247990
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 135193954
7-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 141747056
6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 141747061
6-chloro-2-propan-2-yl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 141747064
N-[[4-[2-[4-(1,1-difluoroethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;ethane
CID 145221811

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine?
The IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine (CID 158971569) is 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine.
What is the SMILES notation for 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine?
The canonical SMILES for 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine is C.CCc1nc2ncc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.CCc1nc2ncc(Cl)cn2c1C(=O)O.NCc1ccc(N2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.
What is the InChIKey of 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine?
The InChIKey is JNWRMZLUAHBRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClF3N6O2.C19H20F3N3O.C9H8ClN3O2.CH4/c1-2-23-24(38-13-19(29)12-34-26(38)35-23)25(39)33-11-18-3-5-20(6-4-18)36-14-27(15-36)16-37(17-27)21-7-9-22(10-8-21)40-28(30,31)32;20-19(21,22)26-17-7-5-16(6-8-17)25-12-18(13-25)10-24(11-18)15-3-1-14(9-23)2-4-15;1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;/h3-10,12-13H,2,11,14-17H2,1H3,(H,33,39);1-8H,9-13,23H2;3-4H,2H2,1H3,(H,14,15);1H4.
What are the key properties of 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine?
6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine has a molecular weight of 1176.06 g/mol, XLogP of 10.75, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine is sourced from PubChem (CID 158971569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).