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MIFRRJFDEKMKBV-UHFFFAOYSA-N

C23H26F2N4O3 — CID 154655195

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(difluoromethyl)-N-[7-(2-methylpropoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCC(C)COc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C23H26F2N4O3/c1-14(2)13-32-20-10-21-27-18(15-6-8-31-9-7-15)11-29(21)12-19(20)28-23(30)17-5-3-4-16(26-17)22(24)25/h3-5,10-12,14-15,22H,6-9,13H2,1-2H3,(H,28,30)
InChIKeyMIFRRJFDEKMKBV-UHFFFAOYSA-N
MW444.48 g/mol
LogP4.85
Rot. Bonds7

About MIFRRJFDEKMKBV-UHFFFAOYSA-N

MIFRRJFDEKMKBV-UHFFFAOYSA-N (PubChem CID 154655195) has the molecular formula C23H26F2N4O3 and a molecular weight of 444.48 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[7-(2-methylpropoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameMIFRRJFDEKMKBV-UHFFFAOYSA-N
PubChem CID154655195
Molecular FormulaC23H26F2N4O3
Molecular Weight444.48 g/mol
Exact Mass444.20
IUPAC Name6-(difluoromethyl)-N-[7-(2-methylpropoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCC(C)COc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C23H26F2N4O3/c1-14(2)13-32-20-10-21-27-18(15-6-8-31-9-7-15)11-29(21)12-19(20)28-23(30)17-5-3-4-16(26-17)22(24)25/h3-5,10-12,14-15,22H,6-9,13H2,1-2H3,(H,28,30)
InChIKeyMIFRRJFDEKMKBV-UHFFFAOYSA-N
XLogP4.85
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of MIFRRJFDEKMKBV-UHFFFAOYSA-N?
The IUPAC name of MIFRRJFDEKMKBV-UHFFFAOYSA-N (CID 154655195) is 6-(difluoromethyl)-N-[7-(2-methylpropoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for MIFRRJFDEKMKBV-UHFFFAOYSA-N?
The canonical SMILES for MIFRRJFDEKMKBV-UHFFFAOYSA-N is CC(C)COc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of MIFRRJFDEKMKBV-UHFFFAOYSA-N?
The InChIKey is MIFRRJFDEKMKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O3/c1-14(2)13-32-20-10-21-27-18(15-6-8-31-9-7-15)11-29(21)12-19(20)28-23(30)17-5-3-4-16(26-17)22(24)25/h3-5,10-12,14-15,22H,6-9,13H2,1-2H3,(H,28,30).
What are the key properties of MIFRRJFDEKMKBV-UHFFFAOYSA-N?
MIFRRJFDEKMKBV-UHFFFAOYSA-N has a molecular weight of 444.48 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for MIFRRJFDEKMKBV-UHFFFAOYSA-N is sourced from PubChem (CID 154655195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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