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

C25H23N5O2 — CID 19044773

IUPAC7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCCCc1nc2cccnc2n1Cc1ccn2c(C(=O)O)c(-c3ccccc3)nc2c1
InChIInChI=1S/C25H23N5O2/c1-2-3-11-20-27-19-10-7-13-26-24(19)30(20)16-17-12-14-29-21(15-17)28-22(23(29)25(31)32)18-8-5-4-6-9-18/h4-10,12-15H,2-3,11,16H2,1H3,(H,31,32)
InChIKeyFZZOEWNUHXOMRZ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.84
Rot. Bonds7

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

7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 19044773) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID19044773
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCCCc1nc2cccnc2n1Cc1ccn2c(C(=O)O)c(-c3ccccc3)nc2c1
InChIInChI=1S/C25H23N5O2/c1-2-3-11-20-27-19-10-7-13-26-24(19)30(20)16-17-12-14-29-21(15-17)28-22(23(29)25(31)32)18-8-5-4-6-9-18/h4-10,12-15H,2-3,11,16H2,1H3,(H,31,32)
InChIKeyFZZOEWNUHXOMRZ-UHFFFAOYSA-N
XLogP4.84
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 19044773) is 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid is CCCCc1nc2cccnc2n1Cc1ccn2c(C(=O)O)c(-c3ccccc3)nc2c1.
What is the InChIKey of 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is FZZOEWNUHXOMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-2-3-11-20-27-19-10-7-13-26-24(19)30(20)16-17-12-14-29-21(15-17)28-22(23(29)25(31)32)18-8-5-4-6-9-18/h4-10,12-15H,2-3,11,16H2,1H3,(H,31,32).
What are the key properties of 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?
7-[(2-butylimidazo[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 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 19044773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).