2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid

C24H24N4O2 — CID 15015214

IUPAC2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid
SMILESCCCCc1nc2ccc(N)nc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C24H24N4O2/c1-2-3-8-22-26-20-13-14-21(25)27-23(20)28(22)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)24(29)30/h4-7,9-14H,2-3,8,15H2,1H3,(H2,25,27)(H,29,30)
InChIKeyWIGWADCUTYRBEG-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.77
Rot. Bonds7

About 2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid

2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid (PubChem CID 15015214) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid
PubChem CID15015214
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid
SMILESCCCCc1nc2ccc(N)nc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C24H24N4O2/c1-2-3-8-22-26-20-13-14-21(25)27-23(20)28(22)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)24(29)30/h4-7,9-14H,2-3,8,15H2,1H3,(H2,25,27)(H,29,30)
InChIKeyWIGWADCUTYRBEG-UHFFFAOYSA-N
XLogP4.77
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid (CID 15015214) is 2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid is CCCCc1nc2ccc(N)nc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid?
The InChIKey is WIGWADCUTYRBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-3-8-22-26-20-13-14-21(25)27-23(20)28(22)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)24(29)30/h4-7,9-14H,2-3,8,15H2,1H3,(H2,25,27)(H,29,30).
What are the key properties of 2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid?
2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid has a molecular weight of 400.48 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid is sourced from PubChem (CID 15015214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).