3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one

C19H21N5O3 — CID 123326964

IUPAC3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one
SMILESCOc1ccc(C2CC2COc2nc(C)ncc2-c2cc(=O)[nH]n2C)nc1
InChIInChI=1S/C19H21N5O3/c1-11-20-9-15(17-7-18(25)23-24(17)2)19(22-11)27-10-12-6-14(12)16-5-4-13(26-3)8-21-16/h4-5,7-9,12,14H,6,10H2,1-3H3,(H,23,25)
InChIKeyXEGWCHNEMFJVHK-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.06
Rot. Bonds6

About 3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one

3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one (PubChem CID 123326964) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one
PubChem CID123326964
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one
SMILESCOc1ccc(C2CC2COc2nc(C)ncc2-c2cc(=O)[nH]n2C)nc1
InChIInChI=1S/C19H21N5O3/c1-11-20-9-15(17-7-18(25)23-24(17)2)19(22-11)27-10-12-6-14(12)16-5-4-13(26-3)8-21-16/h4-5,7-9,12,14H,6,10H2,1-3H3,(H,23,25)
InChIKeyXEGWCHNEMFJVHK-UHFFFAOYSA-N
XLogP2.06
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one with MolForge

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Related Compounds

5-(3-methoxy-1-methylpyrazol-5-yl)-4-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 144632580
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one
CID 118434178
4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,2-oxazol-5-one
CID 123602873
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine
CID 123278187
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole
CID 71488705
5-methoxy-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 144632598
6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one
CID 129160221
4-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzoic acid
CID 118474071
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole
CID 90182321
1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
CID 123583098
cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine
CID 144632685
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine
CID 123528273

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one?
The IUPAC name of 3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one (CID 123326964) is 3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one?
The canonical SMILES for 3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one is COc1ccc(C2CC2COc2nc(C)ncc2-c2cc(=O)[nH]n2C)nc1.
What is the InChIKey of 3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one?
The InChIKey is XEGWCHNEMFJVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-20-9-15(17-7-18(25)23-24(17)2)19(22-11)27-10-12-6-14(12)16-5-4-13(26-3)8-21-16/h4-5,7-9,12,14H,6,10H2,1-3H3,(H,23,25).
What are the key properties of 3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one?
3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one has a molecular weight of 367.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one is sourced from PubChem (CID 123326964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).