1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane

C23H27ClN4O2 — CID 144726626

IUPAC1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane
SMILESCC.COc1ncc(Cc2cnc(N3CCC(O)C3)nc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C21H21ClN4O2.C2H6/c1-28-20-19(16-3-2-4-17(22)9-16)8-14(10-23-20)7-15-11-24-21(25-12-15)26-6-5-18(27)13-26;1-2/h2-4,8-12,18,27H,5-7,13H2,1H3;1-2H3
InChIKeyYVGCEBSFFZYKFB-UHFFFAOYSA-N
MW426.95 g/mol
LogP4.39
Rot. Bonds5

About 1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane

1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane (PubChem CID 144726626) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane.

Molecular Properties

Compound Name1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane
PubChem CID144726626
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane
SMILESCC.COc1ncc(Cc2cnc(N3CCC(O)C3)nc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C21H21ClN4O2.C2H6/c1-28-20-19(16-3-2-4-17(22)9-16)8-14(10-23-20)7-15-11-24-21(25-12-15)26-6-5-18(27)13-26;1-2/h2-4,8-12,18,27H,5-7,13H2,1H3;1-2H3
InChIKeyYVGCEBSFFZYKFB-UHFFFAOYSA-N
XLogP4.39
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane with MolForge

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Related Compounds

[1-[(3-Chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
CID 118714144
5-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N,N-dimethylpyrimidin-2-amine
CID 145993870
(4-Chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol
CID 56662424
(4-Chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol
CID 56679337
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidine
CID 58019926
2-[[5-[[3-(3-Chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]-methylamino]ethanol
CID 58020158
1-[5-(3'-Chloro-2-fluoro-6-methoxy-biphenyl-3-ylmethyl)-pyridin-2-yl]-pyrrolidin-3-ol
CID 58020184
1-[5-[[3-(3-Chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]azetidin-3-ol
CID 58020197
(2R,3R)-3-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67369171
5-[[3-(3-Chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-(1-methylpyrrolidin-3-yl)oxypyrimidine
CID 68789995
[1-[[5-(3-Chlorophenyl)-6-(difluoromethoxy)pyridin-3-yl]methyl]imidazol-4-yl]methanol
CID 86295943
5-[[5-(3-Chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine
CID 86296160

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane?
The IUPAC name of 1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane (CID 144726626) is 1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane.
What is the SMILES notation for 1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane?
The canonical SMILES for 1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane is CC.COc1ncc(Cc2cnc(N3CCC(O)C3)nc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane?
The InChIKey is YVGCEBSFFZYKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2.C2H6/c1-28-20-19(16-3-2-4-17(22)9-16)8-14(10-23-20)7-15-11-24-21(25-12-15)26-6-5-18(27)13-26;1-2/h2-4,8-12,18,27H,5-7,13H2,1H3;1-2H3.
What are the key properties of 1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane?
1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane has a molecular weight of 426.95 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrimidin-2-yl]pyrrolidin-3-ol;ethane is sourced from PubChem (CID 144726626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).