2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one

C25H26ClN5O4 — CID 137359670

IUPAC2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one
SMILESCCCCc1nc(O)c(-c2nnc(Cc3ccc(Cl)cn3)o2)c(=O)n1C(C)c1cccc(OC)c1
InChIInChI=1S/C25H26ClN5O4/c1-4-5-9-20-28-23(32)22(24-30-29-21(35-24)13-18-11-10-17(26)14-27-18)25(33)31(20)15(2)16-7-6-8-19(12-16)34-3/h6-8,10-12,14-15,32H,4-5,9,13H2,1-3H3
InChIKeyHGODFKHCVRSQSS-UHFFFAOYSA-N
MW495.97 g/mol
LogP4.60
Rot. Bonds9

About 2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one

2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one (PubChem CID 137359670) has the molecular formula C25H26ClN5O4 and a molecular weight of 495.97 g/mol. Its IUPAC name is 2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one
PubChem CID137359670
Molecular FormulaC25H26ClN5O4
Molecular Weight495.97 g/mol
Exact Mass495.17
IUPAC Name2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one
SMILESCCCCc1nc(O)c(-c2nnc(Cc3ccc(Cl)cn3)o2)c(=O)n1C(C)c1cccc(OC)c1
InChIInChI=1S/C25H26ClN5O4/c1-4-5-9-20-28-23(32)22(24-30-29-21(35-24)13-18-11-10-17(26)14-27-18)25(33)31(20)15(2)16-7-6-8-19(12-16)34-3/h6-8,10-12,14-15,32H,4-5,9,13H2,1-3H3
InChIKeyHGODFKHCVRSQSS-UHFFFAOYSA-N
XLogP4.60
TPSA116.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.97
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-butyl-6-hydroxy-3-[(1R)-2-methoxy-1-phenylethyl]-5-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]pyrimidin-4-one
CID 137359463
2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-one
CID 137359413
6-butyl-3-[5-[(4-chloro-2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 137106302
6-butyl-3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 137106228
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 53153514
6-butyl-3-[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dichlorophenyl)-4-hydroxy-1H-pyridin-2-one
CID 137106196
5-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-2-cyclopentyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one
CID 137203150
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole
CID 162416554
6-butyl-3-[5-[2-(4-chlorophenyl)-2-methylpropyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 137106225
2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid
CID 91034439
3-butyl-4-(3-methoxyphenyl)-1H-1,2,4-triazol-5-one
CID 50956867

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one?
The IUPAC name of 2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one (CID 137359670) is 2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one?
The canonical SMILES for 2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one is CCCCc1nc(O)c(-c2nnc(Cc3ccc(Cl)cn3)o2)c(=O)n1C(C)c1cccc(OC)c1.
What is the InChIKey of 2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one?
The InChIKey is HGODFKHCVRSQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O4/c1-4-5-9-20-28-23(32)22(24-30-29-21(35-24)13-18-11-10-17(26)14-27-18)25(33)31(20)15(2)16-7-6-8-19(12-16)34-3/h6-8,10-12,14-15,32H,4-5,9,13H2,1-3H3.
What are the key properties of 2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one?
2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one has a molecular weight of 495.97 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[5-[(5-chloro-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-yl]-6-hydroxy-3-[1-(3-methoxyphenyl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 137359670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).