4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide

C15H12F2N4O3 — CID 71847600

IUPAC4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc3ncccc3[nH]2)ccc1OC(F)F
InChIInChI=1S/C15H12F2N4O3/c1-23-11-7-8(4-5-10(11)24-14(16)17)13(22)21-15-19-9-3-2-6-18-12(9)20-15/h2-7,14H,1H3,(H2,18,19,20,21,22)
InChIKeyFCTMCXQGVCLDLM-UHFFFAOYSA-N
MW334.28 g/mol
LogP2.82
Rot. Bonds5

About 4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide

4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide (PubChem CID 71847600) has the molecular formula C15H12F2N4O3 and a molecular weight of 334.28 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide
PubChem CID71847600
Molecular FormulaC15H12F2N4O3
Molecular Weight334.28 g/mol
Exact Mass334.09
IUPAC Name4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc3ncccc3[nH]2)ccc1OC(F)F
InChIInChI=1S/C15H12F2N4O3/c1-23-11-7-8(4-5-10(11)24-14(16)17)13(22)21-15-19-9-3-2-6-18-12(9)20-15/h2-7,14H,1H3,(H2,18,19,20,21,22)
InChIKeyFCTMCXQGVCLDLM-UHFFFAOYSA-N
XLogP2.82
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide (CID 71847600) is 4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide is COc1cc(C(=O)Nc2nc3ncccc3[nH]2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide?
The InChIKey is FCTMCXQGVCLDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O3/c1-23-11-7-8(4-5-10(11)24-14(16)17)13(22)21-15-19-9-3-2-6-18-12(9)20-15/h2-7,14H,1H3,(H2,18,19,20,21,22).
What are the key properties of 4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide?
4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide has a molecular weight of 334.28 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 71847600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).