carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

C98H99F9N24O12S3 — CID 176527055

IUPACcarbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCNc1nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)cc2[nH]cnc12.Cc1ccccc1OC1CCN(c2nc3nc(COc4ccccc4)[nH]c(=O)c3s2)CC1.Cc1nc(OCC(=O)O)c2sc(N3CCC(Oc4ccccc4C)CC3)nc2n1.Nc1nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)c2[nH]cnc2n1.Nc1ncnc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)sc12.O=C=O
InChIInChI=1S/C24H24N4O3S.C20H22N4O4S.C19H20F3N5O.C17H17F3N6O.C17H16F3N5OS.CO2/c1-16-7-5-6-10-19(16)31-18-11-13-28(14-12-18)24-27-22-21(32-24)23(29)26-20(25-22)15-30-17-8-3-2-4-9-17;1-12-5-3-4-6-15(12)28-14-7-9-24(10-8-14)20-23-18-17(29-20)19(22-13(2)21-18)27-11-16(25)26;1-23-18-17-14(24-11-25-17)10-16(26-18)27-8-6-12(7-9-27)28-15-5-3-2-4-13(15)19(20,21)22;18-17(19,20)11-3-1-2-4-12(11)27-10-5-7-26(8-6-10)15-13-14(23-9-22-13)24-16(21)25-15;18-17(19,20)11-3-1-2-4-12(11)26-10-5-7-25(8-6-10)16-24-15-13(27-16)14(21)22-9-23-15;2-1-3/h2-10,18H,11-15H2,1H3,(H,25,26,29);3-6,14H,7-11H2,1-2H3,(H,25,26);2-5,10-12H,6-9H2,1H3,(H,23,26)(H,24,25);1-4,9-10H,5-8H2,(H3,21,22,23,24,25);1-4,9-10H,5-8H2,(H2,21,22,23);
InChIKeyVRXJJFRJMMGQOW-UHFFFAOYSA-N
MW2072.21 g/mol
LogP17.75
Rot. Bonds22

About carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 176527055) has the molecular formula C98H99F9N24O12S3 and a molecular weight of 2072.21 g/mol. Its IUPAC name is carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Namecarbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID176527055
Molecular FormulaC98H99F9N24O12S3
Molecular Weight2072.21 g/mol
Exact Mass2070.69
IUPAC Namecarbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCNc1nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)cc2[nH]cnc12.Cc1ccccc1OC1CCN(c2nc3nc(COc4ccccc4)[nH]c(=O)c3s2)CC1.Cc1nc(OCC(=O)O)c2sc(N3CCC(Oc4ccccc4C)CC3)nc2n1.Nc1nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)c2[nH]cnc2n1.Nc1ncnc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)sc12.O=C=O
InChIInChI=1S/C24H24N4O3S.C20H22N4O4S.C19H20F3N5O.C17H17F3N6O.C17H16F3N5OS.CO2/c1-16-7-5-6-10-19(16)31-18-11-13-28(14-12-18)24-27-22-21(32-24)23(29)26-20(25-22)15-30-17-8-3-2-4-9-17;1-12-5-3-4-6-15(12)28-14-7-9-24(10-8-14)20-23-18-17(29-20)19(22-13(2)21-18)27-11-16(25)26;1-23-18-17-14(24-11-25-17)10-16(26-18)27-8-6-12(7-9-27)28-15-5-3-2-4-13(15)19(20,21)22;18-17(19,20)11-3-1-2-4-12(11)27-10-5-7-26(8-6-10)15-13-14(23-9-22-13)24-16(21)25-15;18-17(19,20)11-3-1-2-4-12(11)26-10-5-7-25(8-6-10)16-24-15-13(27-16)14(21)22-9-23-15;2-1-3/h2-10,18H,11-15H2,1H3,(H,25,26,29);3-6,14H,7-11H2,1-2H3,(H,25,26);2-5,10-12H,6-9H2,1H3,(H,23,26)(H,24,25);1-4,9-10H,5-8H2,(H3,21,22,23,24,25);1-4,9-10H,5-8H2,(H2,21,22,23);
InChIKeyVRXJJFRJMMGQOW-UHFFFAOYSA-N
XLogP17.75
TPSA448.33 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002072.21
LogP ≤ 517.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine 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

N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol
CID 159372574
N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one
CID 159104394
carbon dioxide;7-ethyl-5-[4-(2-methylphenoxy)piperidin-1-yl]-3H-pyrrolo[2,3-c]pyridine;5-methyl-7-[4-(2-methylphenoxy)piperidin-1-yl]-3H-pyrrolo[3,2-b]pyridine;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridin-7-yl]oxy]acetic acid;7-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidine;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 161942835

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 176527055) is carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is CNc1nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)cc2[nH]cnc12.Cc1ccccc1OC1CCN(c2nc3nc(COc4ccccc4)[nH]c(=O)c3s2)CC1.Cc1nc(OCC(=O)O)c2sc(N3CCC(Oc4ccccc4C)CC3)nc2n1.Nc1nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)c2[nH]cnc2n1.Nc1ncnc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)sc12.O=C=O.
What is the InChIKey of carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is VRXJJFRJMMGQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S.C20H22N4O4S.C19H20F3N5O.C17H17F3N6O.C17H16F3N5OS.CO2/c1-16-7-5-6-10-19(16)31-18-11-13-28(14-12-18)24-27-22-21(32-24)23(29)26-20(25-22)15-30-17-8-3-2-4-9-17;1-12-5-3-4-6-15(12)28-14-7-9-24(10-8-14)20-23-18-17(29-20)19(22-13(2)21-18)27-11-16(25)26;1-23-18-17-14(24-11-25-17)10-16(26-18)27-8-6-12(7-9-27)28-15-5-3-2-4-13(15)19(20,21)22;18-17(19,20)11-3-1-2-4-12(11)27-10-5-7-26(8-6-10)15-13-14(23-9-22-13)24-16(21)25-15;18-17(19,20)11-3-1-2-4-12(11)26-10-5-7-25(8-6-10)16-24-15-13(27-16)14(21)22-9-23-15;2-1-3/h2-10,18H,11-15H2,1H3,(H,25,26,29);3-6,14H,7-11H2,1-2H3,(H,25,26);2-5,10-12H,6-9H2,1H3,(H,23,26)(H,24,25);1-4,9-10H,5-8H2,(H3,21,22,23,24,25);1-4,9-10H,5-8H2,(H2,21,22,23);.
What are the key properties of carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 2072.21 g/mol, XLogP of 17.75, 22 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-[[5-methyl-2-[4-(2-methylphenoxy)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]oxy]acetic acid;2-[4-(2-methylphenoxy)piperidin-1-yl]-5-(phenoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;N-methyl-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-4-amine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 176527055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).