4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide

C24H24F2N6O2 — CID 135249426

IUPAC4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1
InChIInChI=1S/C24H24F2N6O2/c1-27-24(33)30-11-9-19(10-12-30)34-22-4-2-3-21-28-14-20(32(21)22)17-7-5-16(6-8-17)18-13-29-31(15-18)23(25)26/h2-8,13-15,19,23H,9-12H2,1H3,(H,27,33)
InChIKeyXMODQXOQPDOKOB-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.44
Rot. Bonds5

About 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide

4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide (PubChem CID 135249426) has the molecular formula C24H24F2N6O2 and a molecular weight of 466.49 g/mol. Its IUPAC name is 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide
PubChem CID135249426
Molecular FormulaC24H24F2N6O2
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC Name4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1
InChIInChI=1S/C24H24F2N6O2/c1-27-24(33)30-11-9-19(10-12-30)34-22-4-2-3-21-28-14-20(32(21)22)17-7-5-16(6-8-17)18-13-29-31(15-18)23(25)26/h2-8,13-15,19,23H,9-12H2,1H3,(H,27,33)
InChIKeyXMODQXOQPDOKOB-UHFFFAOYSA-N
XLogP4.44
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide (CID 135249426) is 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(Oc2cccc3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)n23)CC1.
What is the InChIKey of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide?
The InChIKey is XMODQXOQPDOKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O2/c1-27-24(33)30-11-9-19(10-12-30)34-22-4-2-3-21-28-14-20(32(21)22)17-7-5-16(6-8-17)18-13-29-31(15-18)23(25)26/h2-8,13-15,19,23H,9-12H2,1H3,(H,27,33).
What are the key properties of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide?
4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridin-5-yl]oxy-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 135249426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).