3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid

C30H29N3O3 — CID 67792278

IUPAC3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(OCc2c(C)cc3ccccc3c2C(=O)O)cc1
InChIInChI=1S/C30H29N3O3/c1-4-7-26-32-28-19(2)14-15-31-29(28)33(26)17-21-10-12-23(13-11-21)36-18-25-20(3)16-22-8-5-6-9-24(22)27(25)30(34)35/h5-6,8-16H,4,7,17-18H2,1-3H3,(H,34,35)
InChIKeyIOWZAMGXASHFMQ-UHFFFAOYSA-N
MW479.58 g/mol
LogP6.48
Rot. Bonds8

About 3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid

3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid (PubChem CID 67792278) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is 3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid
PubChem CID67792278
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC Name3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(OCc2c(C)cc3ccccc3c2C(=O)O)cc1
InChIInChI=1S/C30H29N3O3/c1-4-7-26-32-28-19(2)14-15-31-29(28)33(26)17-21-10-12-23(13-11-21)36-18-25-20(3)16-22-8-5-6-9-24(22)27(25)30(34)35/h5-6,8-16H,4,7,17-18H2,1-3H3,(H,34,35)
InChIKeyIOWZAMGXASHFMQ-UHFFFAOYSA-N
XLogP6.48
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid?
The IUPAC name of 3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid (CID 67792278) is 3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid is CCCc1nc2c(C)ccnc2n1Cc1ccc(OCc2c(C)cc3ccccc3c2C(=O)O)cc1.
What is the InChIKey of 3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid?
The InChIKey is IOWZAMGXASHFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-4-7-26-32-28-19(2)14-15-31-29(28)33(26)17-21-10-12-23(13-11-21)36-18-25-20(3)16-22-8-5-6-9-24(22)27(25)30(34)35/h5-6,8-16H,4,7,17-18H2,1-3H3,(H,34,35).
What are the key properties of 3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid?
3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid has a molecular weight of 479.58 g/mol, XLogP of 6.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]methyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 67792278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).