2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C28H29F4N7O — CID 162378743

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 162378743) has the molecular formula C28H29F4N7O and a molecular weight of 555.58 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
• PubChem CID: 162378743
• Molecular Formula: C28H29F4N7O
• Molecular Weight: 555.58 g/mol
• Exact Mass: 555.24
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
• SMILES: CCn1cc(C(F)(F)F)nc1-c1ccc(CN2c3cc(-c4c(OC)ncnc4C4CC4)nn3CCC2C)cc1F
• InChI: InChI=1S/C28H29F4N7O/c1-4-37-14-22(28(30,31)32)35-26(37)19-8-5-17(11-20(19)29)13-38-16(2)9-10-39-23(38)12-21(36-39)24-25(18-6-7-18)33-15-34-27(24)40-3/h5,8,11-12,14-16,18H,4,6-7,9-10,13H2,1-3H3
• InChIKey: NIYUWXHFIVMOHD-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 73.89 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.58
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 162378743) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is CCn1cc(C(F)(F)F)nc1-c1ccc(CN2c3cc(-c4c(OC)ncnc4C4CC4)nn3CCC2C)cc1F.

What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?

The InChIKey is NIYUWXHFIVMOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F4N7O/c1-4-37-14-22(28(30,31)32)35-26(37)19-8-5-17(11-20(19)29)13-38-16(2)9-10-39-23(38)12-21(36-39)24-25(18-6-7-18)33-15-34-27(24)40-3/h5,8,11-12,14-16,18H,4,6-7,9-10,13H2,1-3H3.

What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 555.58 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162378743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).