7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid

C25H23N5O2 — CID 19044770

IUPAC7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccn2c(C(=O)O)c(-c3ccccc3)nc2c1
InChIInChI=1S/C25H23N5O2/c1-4-19-27-21-15(2)12-16(3)26-24(21)30(19)14-17-10-11-29-20(13-17)28-22(23(29)25(31)32)18-8-6-5-7-9-18/h5-13H,4,14H2,1-3H3,(H,31,32)
InChIKeyYTSBZUGTKOSDKM-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.67
Rot. Bonds5

About 7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid

7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 19044770) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID19044770
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccn2c(C(=O)O)c(-c3ccccc3)nc2c1
InChIInChI=1S/C25H23N5O2/c1-4-19-27-21-15(2)12-16(3)26-24(21)30(19)14-17-10-11-29-20(13-17)28-22(23(29)25(31)32)18-8-6-5-7-9-18/h5-13H,4,14H2,1-3H3,(H,31,32)
InChIKeyYTSBZUGTKOSDKM-UHFFFAOYSA-N
XLogP4.67
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 19044770) is 7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid is CCc1nc2c(C)cc(C)nc2n1Cc1ccn2c(C(=O)O)c(-c3ccccc3)nc2c1.
What is the InChIKey of 7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is YTSBZUGTKOSDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-4-19-27-21-15(2)12-16(3)26-24(21)30(19)14-17-10-11-29-20(13-17)28-22(23(29)25(31)32)18-8-6-5-7-9-18/h5-13H,4,14H2,1-3H3,(H,31,32).
What are the key properties of 7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 425.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 19044770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).