1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid

C25H23N5O4 — CID 118134523

IUPAC1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(-c2cnc(-c3ncc(-c4cnc(OCC5(C(=O)O)CC5)cc4C)cn3)[nH]2)cc1
InChIInChI=1S/C25H23N5O4/c1-15-9-21(34-14-25(7-8-25)24(31)32)26-12-19(15)17-10-27-22(28-11-17)23-29-13-20(30-23)16-3-5-18(33-2)6-4-16/h3-6,9-13H,7-8,14H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyHGCYNYGYTTWQIS-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.16
Rot. Bonds8

About 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid

1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid (PubChem CID 118134523) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid
PubChem CID118134523
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC Name1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(-c2cnc(-c3ncc(-c4cnc(OCC5(C(=O)O)CC5)cc4C)cn3)[nH]2)cc1
InChIInChI=1S/C25H23N5O4/c1-15-9-21(34-14-25(7-8-25)24(31)32)26-12-19(15)17-10-27-22(28-11-17)23-29-13-20(30-23)16-3-5-18(33-2)6-4-16/h3-6,9-13H,7-8,14H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyHGCYNYGYTTWQIS-UHFFFAOYSA-N
XLogP4.16
TPSA123.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid (CID 118134523) is 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid is COc1ccc(-c2cnc(-c3ncc(-c4cnc(OCC5(C(=O)O)CC5)cc4C)cn3)[nH]2)cc1.
What is the InChIKey of 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid?
The InChIKey is HGCYNYGYTTWQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-15-9-21(34-14-25(7-8-25)24(31)32)26-12-19(15)17-10-27-22(28-11-17)23-29-13-20(30-23)16-3-5-18(33-2)6-4-16/h3-6,9-13H,7-8,14H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid?
1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid has a molecular weight of 457.49 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 118134523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).