(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

C85H88FN21O4 — CID 161082948

IUPAC(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCc1ccc(NC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)cc1.Cc1ccc(NC2CC3CC2N(C(=O)c2cccc4cc[nH]c24)C3)nc1.Cc1ccc(NC2CC3CC2N(C(=O)c2cccc4cn[nH]c24)C3)nc1.Cc1cnc(C(=O)N2CC3CC(Nc4cnc(C)cn4)C2C3)c(-n2nccn2)c1
InChIInChI=1S/C24H23FN4O.C21H22N4O.C20H22N8O.C20H21N5O/c1-15-6-8-17(9-7-15)28-20-12-16-13-21(20)29(14-16)24(30)18-4-2-5-19(25)22(18)23-26-10-3-11-27-23;1-13-5-6-19(23-11-13)24-17-9-14-10-18(17)25(12-14)21(26)16-4-2-3-15-7-8-22-20(15)16;1-12-5-17(28-24-3-4-25-28)19(23-8-12)20(29)27-11-14-6-15(16(27)7-14)26-18-10-21-13(2)9-22-18;1-12-5-6-18(21-9-12)23-16-7-13-8-17(16)25(11-13)20(26)15-4-2-3-14-10-22-24-19(14)15/h2-11,16,20-21,28H,12-14H2,1H3;2-8,11,14,17-18,22H,9-10,12H2,1H3,(H,23,24);3-5,8-10,14-16H,6-7,11H2,1-2H3,(H,22,26);2-6,9-10,13,16-17H,7-8,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyUGDJUPYNXPFSPZ-UHFFFAOYSA-N
MW1486.78 g/mol
LogP12.66
Rot. Bonds14

About (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 161082948) has the molecular formula C85H88FN21O4 and a molecular weight of 1486.78 g/mol. Its IUPAC name is (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
PubChem CID161082948
Molecular FormulaC85H88FN21O4
Molecular Weight1486.78 g/mol
Exact Mass1485.73
IUPAC Name(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCc1ccc(NC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)cc1.Cc1ccc(NC2CC3CC2N(C(=O)c2cccc4cc[nH]c24)C3)nc1.Cc1ccc(NC2CC3CC2N(C(=O)c2cccc4cn[nH]c24)C3)nc1.Cc1cnc(C(=O)N2CC3CC(Nc4cnc(C)cn4)C2C3)c(-n2nccn2)c1
InChIInChI=1S/C24H23FN4O.C21H22N4O.C20H22N8O.C20H21N5O/c1-15-6-8-17(9-7-15)28-20-12-16-13-21(20)29(14-16)24(30)18-4-2-5-19(25)22(18)23-26-10-3-11-27-23;1-13-5-6-19(23-11-13)24-17-9-14-10-18(17)25(12-14)21(26)16-4-2-3-15-7-8-22-20(15)16;1-12-5-17(28-24-3-4-25-28)19(23-8-12)20(29)27-11-14-6-15(16(27)7-14)26-18-10-21-13(2)9-22-18;1-12-5-6-18(21-9-12)23-16-7-13-8-17(16)25(11-13)20(26)15-4-2-3-14-10-22-24-19(14)15/h2-11,16,20-21,28H,12-14H2,1H3;2-8,11,14,17-18,22H,9-10,12H2,1H3,(H,23,24);3-5,8-10,14-16H,6-7,11H2,1-2H3,(H,22,26);2-6,9-10,13,16-17H,7-8,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyUGDJUPYNXPFSPZ-UHFFFAOYSA-N
XLogP12.66
TPSA294.77 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001486.78
LogP ≤ 512.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

carbon dioxide;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrimidin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone;[6-[(5-methylpyrimidin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanone
CID 157287520
(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 161315075
[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 126745403
[3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 130231661
(3-fluoro-2-pyrimidin-2-ylphenyl)-[(1S,6R)-6-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 175896503
[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 126745398
[2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 126745574
[6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanone;[6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 161099683
[3-methyl-2-(triazol-2-yl)phenyl]-[(4S)-6-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 126748060
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1S,4S,6R)-6-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90414851
[2-fluoro-6-[methyl-(methylideneamino)amino]phenyl]-[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 163979611
[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-2-ylphenyl)methanone
CID 126745539

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (CID 161082948) is (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is Cc1ccc(NC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)cc1.Cc1ccc(NC2CC3CC2N(C(=O)c2cccc4cc[nH]c24)C3)nc1.Cc1ccc(NC2CC3CC2N(C(=O)c2cccc4cn[nH]c24)C3)nc1.Cc1cnc(C(=O)N2CC3CC(Nc4cnc(C)cn4)C2C3)c(-n2nccn2)c1.
What is the InChIKey of (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is UGDJUPYNXPFSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O.C21H22N4O.C20H22N8O.C20H21N5O/c1-15-6-8-17(9-7-15)28-20-12-16-13-21(20)29(14-16)24(30)18-4-2-5-19(25)22(18)23-26-10-3-11-27-23;1-13-5-6-19(23-11-13)24-17-9-14-10-18(17)25(12-14)21(26)16-4-2-3-15-7-8-22-20(15)16;1-12-5-17(28-24-3-4-25-28)19(23-8-12)20(29)27-11-14-6-15(16(27)7-14)26-18-10-21-13(2)9-22-18;1-12-5-6-18(21-9-12)23-16-7-13-8-17(16)25(11-13)20(26)15-4-2-3-14-10-22-24-19(14)15/h2-11,16,20-21,28H,12-14H2,1H3;2-8,11,14,17-18,22H,9-10,12H2,1H3,(H,23,24);3-5,8-10,14-16H,6-7,11H2,1-2H3,(H,22,26);2-6,9-10,13,16-17H,7-8,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?
(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 1486.78 g/mol, XLogP of 12.66, 14 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-pyrimidin-2-ylphenyl)-[6-(4-methylanilino)-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indazol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;1H-indol-7-yl-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 161082948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).