5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine

C23H21F2N7O2 — CID 123500092

IUPAC5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
SMILESCOc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(-c3nnnn3C(F)F)cc2)nc1
InChIInChI=1S/C23H21F2N7O2/c1-13-26-11-19(14-3-5-15(6-4-14)21-29-30-31-32(21)23(24)25)22(28-13)34-12-16-9-18(16)20-8-7-17(33-2)10-27-20/h3-8,10-11,16,18,23H,9,12H2,1-2H3
InChIKeyWIYWZHJQLUODOF-UHFFFAOYSA-N
MW465.46 g/mol
LogP4.09
Rot. Bonds8

About 5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine

5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine (PubChem CID 123500092) has the molecular formula C23H21F2N7O2 and a molecular weight of 465.46 g/mol. Its IUPAC name is 5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
PubChem CID123500092
Molecular FormulaC23H21F2N7O2
Molecular Weight465.46 g/mol
Exact Mass465.17
IUPAC Name5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
SMILESCOc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(-c3nnnn3C(F)F)cc2)nc1
InChIInChI=1S/C23H21F2N7O2/c1-13-26-11-19(14-3-5-15(6-4-14)21-29-30-31-32(21)23(24)25)22(28-13)34-12-16-9-18(16)20-8-7-17(33-2)10-27-20/h3-8,10-11,16,18,23H,9,12H2,1-2H3
InChIKeyWIYWZHJQLUODOF-UHFFFAOYSA-N
XLogP4.09
TPSA100.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine with MolForge

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Related Compounds

Methyl substituted pyrazole, 28
CID 23648676
5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 156022737
4-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10316875
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611462
7-(3''-Cyclopropylmethoxy-4''-difluoromethoxyphenyl)-2-pyridin-3-yl-pyrazolo[1,5-a]pyrimidine
CID 24775191
6-[4-[4-[2-(1-methyl-1H-pyrazol-5-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 42635876
3-(Cyclopropylmethyl)-7-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-fluorophenyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 66786131
7-[4-(2,6-Dimethylpyridin-3-yl)oxy-3-fluorophenyl]-3-(ethoxymethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66787433
3-(Cyclopropylmethyl)-7-[3-fluoro-4-[(2,6-dimethyl-3-pyridyl)oxy]phenyl]-8-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyridine
CID 70209638
4-{[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy}-2-methyl-5-(1-methyl-1H-pyrazol-4-yl)pyrimidine
CID 71061106
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
CID 71085908

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The IUPAC name of 5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine (CID 123500092) is 5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine.
What is the SMILES notation for 5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The canonical SMILES for 5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine is COc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(-c3nnnn3C(F)F)cc2)nc1.
What is the InChIKey of 5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The InChIKey is WIYWZHJQLUODOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2/c1-13-26-11-19(14-3-5-15(6-4-14)21-29-30-31-32(21)23(24)25)22(28-13)34-12-16-9-18(16)20-8-7-17(33-2)10-27-20/h3-8,10-11,16,18,23H,9,12H2,1-2H3.
What are the key properties of 5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine has a molecular weight of 465.46 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine is sourced from PubChem (CID 123500092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).