2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide

C21H20F2N6O3 — CID 154636419

IUPAC2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide
SMILESCCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C)c4)cnc32)cc1OC(F)F
InChIInChI=1S/C21H20F2N6O3/c1-4-24-20(30)18-16(31-3)6-14(7-17(18)32-21(22)23)29-11-26-15-5-12(8-25-19(15)29)13-9-27-28(2)10-13/h5-11,21H,4H2,1-3H3,(H,24,30)
InChIKeyYEFUZLJATUKDCG-UHFFFAOYSA-N
MW442.43 g/mol
LogP3.18
Rot. Bonds7

About 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide

2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide (PubChem CID 154636419) has the molecular formula C21H20F2N6O3 and a molecular weight of 442.43 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide
PubChem CID154636419
Molecular FormulaC21H20F2N6O3
Molecular Weight442.43 g/mol
Exact Mass442.16
IUPAC Name2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide
SMILESCCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C)c4)cnc32)cc1OC(F)F
InChIInChI=1S/C21H20F2N6O3/c1-4-24-20(30)18-16(31-3)6-14(7-17(18)32-21(22)23)29-11-26-15-5-12(8-25-19(15)29)13-9-27-28(2)10-13/h5-11,21H,4H2,1-3H3,(H,24,30)
InChIKeyYEFUZLJATUKDCG-UHFFFAOYSA-N
XLogP3.18
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide (CID 154636419) is 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide is CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C)c4)cnc32)cc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide?
The InChIKey is YEFUZLJATUKDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O3/c1-4-24-20(30)18-16(31-3)6-14(7-17(18)32-21(22)23)29-11-26-15-5-12(8-25-19(15)29)13-9-27-28(2)10-13/h5-11,21H,4H2,1-3H3,(H,24,30).
What are the key properties of 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide?
2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide has a molecular weight of 442.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 154636419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).