1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole

C25H25ClF3N5OS — CID 142603525

About 1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole

1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole (PubChem CID 142603525) has the molecular formula C25H25ClF3N5OS and a molecular weight of 536.02 g/mol. Its IUPAC name is 1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole
• PubChem CID: 142603525
• Molecular Formula: C25H25ClF3N5OS
• Molecular Weight: 536.02 g/mol
• Exact Mass: 535.14
• IUPAC Name: 1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole
• SMILES: COC1CCCC12CC1=C(c3cnn(C(F)F)c3)CN=C(c3nccs3)N1C2.Fc1cccc(Cl)c1
• InChI: InChI=1S/C19H21F2N5OS.C6H4ClF/c1-27-15-3-2-4-19(15)7-14-13(12-8-24-26(10-12)18(20)21)9-23-16(25(14)11-19)17-22-5-6-28-17;7-5-2-1-3-6(8)4-5/h5-6,8,10,15,18H,2-4,7,9,11H2,1H3;1-4H
• InChIKey: WQVYMYIJMIKQIS-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 55.54 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.02
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole?

The IUPAC name of 1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole (CID 142603525) is 1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole.

What is the SMILES notation for 1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole?

The canonical SMILES for 1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole is COC1CCCC12CC1=C(c3cnn(C(F)F)c3)CN=C(c3nccs3)N1C2.Fc1cccc(Cl)c1.

What is the InChIKey of 1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole?

The InChIKey is WQVYMYIJMIKQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5OS.C6H4ClF/c1-27-15-3-2-4-19(15)7-14-13(12-8-24-26(10-12)18(20)21)9-23-16(25(14)11-19)17-22-5-6-28-17;7-5-2-1-3-6(8)4-5/h5-6,8,10,15,18H,2-4,7,9,11H2,1H3;1-4H.

What are the key properties of 1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole?

1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole has a molecular weight of 536.02 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-3-fluorobenzene;2-[4-[1-(difluoromethyl)pyrazol-4-yl]-2'-methoxyspiro[5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidine-6,1'-cyclopentane]-1-yl]-1,3-thiazole is sourced from PubChem (CID 142603525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).