5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid

C19H19N5O3 — CID 129315451

IUPAC5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)O
InChIInChI=1S/C19H19N5O3/c1-12-17(19(25)26)23-18(22-12)16-9-13(2-3-21-16)14-8-15(11-20-10-14)24-4-6-27-7-5-24/h2-3,8-11H,4-7H2,1H3,(H,22,23)(H,25,26)
InChIKeyXEJIFZQUMRLLFA-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.38
Rot. Bonds4

About 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid

5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid (PubChem CID 129315451) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid
PubChem CID129315451
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)O
InChIInChI=1S/C19H19N5O3/c1-12-17(19(25)26)23-18(22-12)16-9-13(2-3-21-16)14-8-15(11-20-10-14)24-4-6-27-7-5-24/h2-3,8-11H,4-7H2,1H3,(H,22,23)(H,25,26)
InChIKeyXEJIFZQUMRLLFA-UHFFFAOYSA-N
XLogP2.38
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid (CID 129315451) is 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid is Cc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid?
The InChIKey is XEJIFZQUMRLLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12-17(19(25)26)23-18(22-12)16-9-13(2-3-21-16)14-8-15(11-20-10-14)24-4-6-27-7-5-24/h2-3,8-11H,4-7H2,1H3,(H,22,23)(H,25,26).
What are the key properties of 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid?
5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 129315451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).