4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid

C26H25N5O4 — CID 90356813

IUPAC4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid
SMILESNC(=O)c1cc(-c2nc3ncc(C4CCN(C(=O)O)CC4)cc3[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C26H25N5O4/c27-23(32)20-12-18(6-7-22(20)35-15-16-4-2-1-3-5-16)24-29-21-13-19(14-28-25(21)30-24)17-8-10-31(11-9-17)26(33)34/h1-7,12-14,17H,8-11,15H2,(H2,27,32)(H,33,34)(H,28,29,30)
InChIKeyYDDACZMFHSZVCL-UHFFFAOYSA-N
MW471.52 g/mol
LogP4.16
Rot. Bonds6

About 4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid

4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid (PubChem CID 90356813) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid
PubChem CID90356813
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid
SMILESNC(=O)c1cc(-c2nc3ncc(C4CCN(C(=O)O)CC4)cc3[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C26H25N5O4/c27-23(32)20-12-18(6-7-22(20)35-15-16-4-2-1-3-5-16)24-29-21-13-19(14-28-25(21)30-24)17-8-10-31(11-9-17)26(33)34/h1-7,12-14,17H,8-11,15H2,(H2,27,32)(H,33,34)(H,28,29,30)
InChIKeyYDDACZMFHSZVCL-UHFFFAOYSA-N
XLogP4.16
TPSA134.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid (CID 90356813) is 4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid is NC(=O)c1cc(-c2nc3ncc(C4CCN(C(=O)O)CC4)cc3[nH]2)ccc1OCc1ccccc1.
What is the InChIKey of 4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid?
The InChIKey is YDDACZMFHSZVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c27-23(32)20-12-18(6-7-22(20)35-15-16-4-2-1-3-5-16)24-29-21-13-19(14-28-25(21)30-24)17-8-10-31(11-9-17)26(33)34/h1-7,12-14,17H,8-11,15H2,(H2,27,32)(H,33,34)(H,28,29,30).
What are the key properties of 4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid?
4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid has a molecular weight of 471.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-carbamoyl-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90356813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).