3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid

C20H19N5O2 — CID 129315845

IUPAC3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid
SMILESCc1nc(-c2cc(-c3cncc(C4=CCN(C(=O)O)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H19N5O2/c1-12-13(2)24-19(23-12)18-8-14(3-5-22-18)16-7-17(10-21-9-16)15-4-6-25(11-15)20(26)27/h3-5,7-10H,6,11H2,1-2H3,(H,23,24)(H,26,27)
InChIKeyDRQDCDKNZHBNQZ-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.53
Rot. Bonds3

About 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid

3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid (PubChem CID 129315845) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid.

Molecular Properties

Compound Name3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid
PubChem CID129315845
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid
SMILESCc1nc(-c2cc(-c3cncc(C4=CCN(C(=O)O)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H19N5O2/c1-12-13(2)24-19(23-12)18-8-14(3-5-22-18)16-7-17(10-21-9-16)15-4-6-25(11-15)20(26)27/h3-5,7-10H,6,11H2,1-2H3,(H,23,24)(H,26,27)
InChIKeyDRQDCDKNZHBNQZ-UHFFFAOYSA-N
XLogP3.53
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid?
The IUPAC name of 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid (CID 129315845) is 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid.
What is the SMILES notation for 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid?
The canonical SMILES for 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid is Cc1nc(-c2cc(-c3cncc(C4=CCN(C(=O)O)C4)c3)ccn2)[nH]c1C.
What is the InChIKey of 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid?
The InChIKey is DRQDCDKNZHBNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-13(2)24-19(23-12)18-8-14(3-5-22-18)16-7-17(10-21-9-16)15-4-6-25(11-15)20(26)27/h3-5,7-10H,6,11H2,1-2H3,(H,23,24)(H,26,27).
What are the key properties of 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid?
3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid has a molecular weight of 361.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid is sourced from PubChem (CID 129315845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).