2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine

C26H22F3N7O — CID 151501281

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1ncc2ccn(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1
InChIInChI=1S/C26H22F3N7O/c1-35-13-19(26(27,28)29)33-23(35)17-5-3-15(4-6-17)12-36-10-9-18-11-30-22(34-24(18)36)20-21(16-7-8-16)31-14-32-25(20)37-2/h3-6,9-11,13-14,16H,7-8,12H2,1-2H3
InChIKeyPQMBMZRJUFSKJW-UHFFFAOYSA-N
MW505.50 g/mol
LogP5.24
Rot. Bonds6

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine (PubChem CID 151501281) has the molecular formula C26H22F3N7O and a molecular weight of 505.50 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine
PubChem CID151501281
Molecular FormulaC26H22F3N7O
Molecular Weight505.50 g/mol
Exact Mass505.18
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1ncc2ccn(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1
InChIInChI=1S/C26H22F3N7O/c1-35-13-19(26(27,28)29)33-23(35)17-5-3-15(4-6-17)12-36-10-9-18-11-30-22(34-24(18)36)20-21(16-7-8-16)31-14-32-25(20)37-2/h3-6,9-11,13-14,16H,7-8,12H2,1-2H3
InChIKeyPQMBMZRJUFSKJW-UHFFFAOYSA-N
XLogP5.24
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.50
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine (CID 151501281) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine is COc1ncnc(C2CC2)c1-c1ncc2ccn(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is PQMBMZRJUFSKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N7O/c1-35-13-19(26(27,28)29)33-23(35)17-5-3-15(4-6-17)12-36-10-9-18-11-30-22(34-24(18)36)20-21(16-7-8-16)31-14-32-25(20)37-2/h3-6,9-11,13-14,16H,7-8,12H2,1-2H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 505.50 g/mol, XLogP of 5.24, 6 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)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 151501281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).