N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole

C65H69F2N21O3S3 — CID 160820066

About N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole

N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole (PubChem CID 160820066) has the molecular formula C65H69F2N21O3S3 and a molecular weight of 1326.61 g/mol. Its IUPAC name is N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole
• PubChem CID: 160820066
• Molecular Formula: C65H69F2N21O3S3
• Molecular Weight: 1326.61 g/mol
• Exact Mass: 1325.50
• IUPAC Name: N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole
• SMILES: CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCC2.COc1nc(-c2csc(Nc3c4c(nn3CC(C)(F)F)CCC4)n2)ccc1-n1cnc(C)c1.COc1nc(-c2nc(N3CCCn4nc5c(c43)CCC5)cs2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C22H23F2N7OS.C22H23N7OS.C21H23N7OS/c1-13-9-30(12-25-13)18-8-7-16(26-20(18)32-3)17-10-33-21(27-17)28-19-14-5-4-6-15(14)29-31(19)11-22(2,23)24;1-14-11-27(13-23-14)18-8-7-17(24-20(18)30-2)21-25-19(12-31-21)28-9-4-10-29-22(28)15-5-3-6-16(15)26-29;1-4-28-19(14-6-5-7-15(14)26-28)25-21-24-17(11-30-21)16-8-9-18(20(23-16)29-3)27-10-13(2)22-12-27/h7-10,12H,4-6,11H2,1-3H3,(H,27,28);7-8,11-13H,3-6,9-10H2,1-2H3;8-12H,4-7H2,1-3H3,(H,24,25)
• InChIKey: SFKQUDKGIDZWGX-UHFFFAOYSA-N
• XLogP: 12.88
• TPSA: 239.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1326.61
LogP ≤ 5	12.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole?

The IUPAC name of N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole (CID 160820066) is N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole.

What is the SMILES notation for N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole?

The canonical SMILES for N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole is CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCC2.COc1nc(-c2csc(Nc3c4c(nn3CC(C)(F)F)CCC4)n2)ccc1-n1cnc(C)c1.COc1nc(-c2nc(N3CCCn4nc5c(c43)CCC5)cs2)ccc1-n1cnc(C)c1.

What is the InChIKey of N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole?

The InChIKey is SFKQUDKGIDZWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N7OS.C22H23N7OS.C21H23N7OS/c1-13-9-30(12-25-13)18-8-7-16(26-20(18)32-3)17-10-33-21(27-17)28-19-14-5-4-6-15(14)29-31(19)11-22(2,23)24;1-14-11-27(13-23-14)18-8-7-17(24-20(18)30-2)21-25-19(12-31-21)28-9-4-10-29-22(28)15-5-3-6-16(15)26-29;1-4-28-19(14-6-5-7-15(14)26-28)25-21-24-17(11-30-21)16-8-9-18(20(23-16)29-3)27-10-13(2)22-12-27/h7-10,12H,4-6,11H2,1-3H3,(H,27,28);7-8,11-13H,3-6,9-10H2,1-2H3;8-12H,4-7H2,1-3H3,(H,24,25).

What are the key properties of N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole?

N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole has a molecular weight of 1326.61 g/mol, XLogP of 12.88, 17 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,2-difluoropropyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-12-yl)-1,3-thiazole is sourced from PubChem (CID 160820066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).