2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

C26H28F2N6O3 — CID 150559900

IUPAC2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCCNC(=O)c1c(OC)cc(-c2cnc3cc(-c4cnn(C5CCNCC5)c4)ccn23)cc1OC(F)F
InChIInChI=1S/C26H28F2N6O3/c1-3-30-25(35)24-21(36-2)10-17(11-22(24)37-26(27)28)20-14-31-23-12-16(6-9-33(20)23)18-13-32-34(15-18)19-4-7-29-8-5-19/h6,9-15,19,26,29H,3-5,7-8H2,1-2H3,(H,30,35)
InChIKeyIJPXSGHZNCGERE-UHFFFAOYSA-N
MW510.55 g/mol
LogP4.15
Rot. Bonds8

About 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 150559900) has the molecular formula C26H28F2N6O3 and a molecular weight of 510.55 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID150559900
Molecular FormulaC26H28F2N6O3
Molecular Weight510.55 g/mol
Exact Mass510.22
IUPAC Name2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCCNC(=O)c1c(OC)cc(-c2cnc3cc(-c4cnn(C5CCNCC5)c4)ccn23)cc1OC(F)F
InChIInChI=1S/C26H28F2N6O3/c1-3-30-25(35)24-21(36-2)10-17(11-22(24)37-26(27)28)20-14-31-23-12-16(6-9-33(20)23)18-13-32-34(15-18)19-4-7-29-8-5-19/h6,9-15,19,26,29H,3-5,7-8H2,1-2H3,(H,30,35)
InChIKeyIJPXSGHZNCGERE-UHFFFAOYSA-N
XLogP4.15
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 150559900) is 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is CCNC(=O)c1c(OC)cc(-c2cnc3cc(-c4cnn(C5CCNCC5)c4)ccn23)cc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is IJPXSGHZNCGERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O3/c1-3-30-25(35)24-21(36-2)10-17(11-22(24)37-26(27)28)20-14-31-23-12-16(6-9-33(20)23)18-13-32-34(15-18)19-4-7-29-8-5-19/h6,9-15,19,26,29H,3-5,7-8H2,1-2H3,(H,30,35).
What are the key properties of 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 510.55 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 150559900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).