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

C26H20F5N7O — CID 164881325

IUPAC2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(Cc2c[nH]c3cnc(-c4c(OC(F)F)ncnc4C4CC4)nc23)cc1
InChIInChI=1S/C26H20F5N7O/c1-38-11-18(26(29,30)31)36-23(38)15-4-2-13(3-5-15)8-16-9-32-17-10-33-22(37-20(16)17)19-21(14-6-7-14)34-12-35-24(19)39-25(27)28/h2-5,9-12,14,25,32H,6-8H2,1H3
InChIKeyARJUSALLHBISOP-UHFFFAOYSA-N
MW541.48 g/mol
LogP5.90
Rot. Bonds7

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

2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 164881325) has the molecular formula C26H20F5N7O and a molecular weight of 541.48 g/mol. Its IUPAC name is 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID164881325
Molecular FormulaC26H20F5N7O
Molecular Weight541.48 g/mol
Exact Mass541.16
IUPAC Name2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(Cc2c[nH]c3cnc(-c4c(OC(F)F)ncnc4C4CC4)nc23)cc1
InChIInChI=1S/C26H20F5N7O/c1-38-11-18(26(29,30)31)36-23(38)15-4-2-13(3-5-15)8-16-9-32-17-10-33-22(37-20(16)17)19-21(14-6-7-14)34-12-35-24(19)39-25(27)28/h2-5,9-12,14,25,32H,6-8H2,1H3
InChIKeyARJUSALLHBISOP-UHFFFAOYSA-N
XLogP5.90
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.48
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
CID 164881407
2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
CID 164881122
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
CID 175781295
2-[4-[[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]phenyl]-1-methylimidazole-4-carbonitrile
CID 164881216
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(difluoromethoxy)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172586423
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
CID 171611696
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-methylphenyl)sulfonyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine
CID 164881268
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(2,2-difluoroethyl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172586509
2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-5-imino-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-4-amine
CID 171405862
[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(methoxymethyl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 164881308
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethoxy]pyrimidine
CID 172586088
4-cyclopropyl-6-methoxy-5-[4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine
CID 172585633

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine (CID 164881325) is 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine is Cn1cc(C(F)(F)F)nc1-c1ccc(Cc2c[nH]c3cnc(-c4c(OC(F)F)ncnc4C4CC4)nc23)cc1.
What is the InChIKey of 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is ARJUSALLHBISOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F5N7O/c1-38-11-18(26(29,30)31)36-23(38)15-4-2-13(3-5-15)8-16-9-32-17-10-33-22(37-20(16)17)19-21(14-6-7-14)34-12-35-24(19)39-25(27)28/h2-5,9-12,14,25,32H,6-8H2,1H3.
What are the key properties of 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?
2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 541.48 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 164881325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).