3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide

C17H18FN5O2 — CID 166264766

IUPAC3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide
SMILESO=C(Nc1ccn(Cc2cn3ccccc3n2)n1)C1(F)CCCOC1
InChIInChI=1S/C17H18FN5O2/c18-17(6-3-9-25-12-17)16(24)20-14-5-8-23(21-14)11-13-10-22-7-2-1-4-15(22)19-13/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H,20,21,24)
InChIKeyDXFBTXVDAZRKLU-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.04
Rot. Bonds4

About 3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide

3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide (PubChem CID 166264766) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide
PubChem CID166264766
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide
SMILESO=C(Nc1ccn(Cc2cn3ccccc3n2)n1)C1(F)CCCOC1
InChIInChI=1S/C17H18FN5O2/c18-17(6-3-9-25-12-17)16(24)20-14-5-8-23(21-14)11-13-10-22-7-2-1-4-15(22)19-13/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H,20,21,24)
InChIKeyDXFBTXVDAZRKLU-UHFFFAOYSA-N
XLogP2.04
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide?
The IUPAC name of 3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide (CID 166264766) is 3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide.
What is the SMILES notation for 3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide?
The canonical SMILES for 3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide is O=C(Nc1ccn(Cc2cn3ccccc3n2)n1)C1(F)CCCOC1.
What is the InChIKey of 3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide?
The InChIKey is DXFBTXVDAZRKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c18-17(6-3-9-25-12-17)16(24)20-14-5-8-23(21-14)11-13-10-22-7-2-1-4-15(22)19-13/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H,20,21,24).
What are the key properties of 3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide?
3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-yl]oxane-3-carboxamide is sourced from PubChem (CID 166264766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).