5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one

C20H21N5O3 — CID 118434178

IUPAC5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c(=O)c2)nc1
InChIInChI=1S/C20H21N5O3/c1-12-21-10-17(13-7-19(26)25(2)23-8-13)20(24-12)28-11-14-6-16(14)18-5-4-15(27-3)9-22-18/h4-5,7-10,14,16H,6,11H2,1-3H3/t14-,16+/m1/s1
InChIKeyXSVFKOCSPYXPKB-ZBFHGGJFSA-N
MW379.42 g/mol
LogP2.13
Rot. Bonds6

About 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one

5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one (PubChem CID 118434178) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one
PubChem CID118434178
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c(=O)c2)nc1
InChIInChI=1S/C20H21N5O3/c1-12-21-10-17(13-7-19(26)25(2)23-8-13)20(24-12)28-11-14-6-16(14)18-5-4-15(27-3)9-22-18/h4-5,7-10,14,16H,6,11H2,1-3H3/t14-,16+/m1/s1
InChIKeyXSVFKOCSPYXPKB-ZBFHGGJFSA-N
XLogP2.13
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one
CID 123326964
5-(3-methoxy-1-methylpyrazol-5-yl)-4-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 144632580
1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
CID 123583098
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine
CID 71085899
4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,2-oxazol-5-one
CID 123602873
4-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzoic acid
CID 118474071
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine
CID 123278187
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(2-propan-2-yloxy-4-pyridinyl)pyrimidine
CID 123624196
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine
CID 123528273
3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazole
CID 123839926
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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one (CID 118434178) is 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c(=O)c2)nc1.
What is the InChIKey of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one?
The InChIKey is XSVFKOCSPYXPKB-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12-21-10-17(13-7-19(26)25(2)23-8-13)20(24-12)28-11-14-6-16(14)18-5-4-15(27-3)9-22-18/h4-5,7-10,14,16H,6,11H2,1-3H3/t14-,16+/m1/s1.
What are the key properties of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one?
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one has a molecular weight of 379.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 118434178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).