N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C22H26FN5O3 — CID 155437117

IUPACN-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(C34CCC(C)(C3)OC4)cn2cc1C(=O)Nc1cc(F)n(C)n1
InChIInChI=1S/C22H26FN5O3/c1-13(2)31-15-7-19-24-16(22-6-5-21(3,11-22)30-12-22)10-28(19)9-14(15)20(29)25-18-8-17(23)27(4)26-18/h7-10,13H,5-6,11-12H2,1-4H3,(H,25,26,29)
InChIKeyBDVXWEWXWXMUDH-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.46
Rot. Bonds5

About N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 155437117) has the molecular formula C22H26FN5O3 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID155437117
Molecular FormulaC22H26FN5O3
Molecular Weight427.48 g/mol
Exact Mass427.20
IUPAC NameN-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(C34CCC(C)(C3)OC4)cn2cc1C(=O)Nc1cc(F)n(C)n1
InChIInChI=1S/C22H26FN5O3/c1-13(2)31-15-7-19-24-16(22-6-5-21(3,11-22)30-12-22)10-28(19)9-14(15)20(29)25-18-8-17(23)27(4)26-18/h7-10,13H,5-6,11-12H2,1-4H3,(H,25,26,29)
InChIKeyBDVXWEWXWXMUDH-UHFFFAOYSA-N
XLogP3.46
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 155437117) is N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(C34CCC(C)(C3)OC4)cn2cc1C(=O)Nc1cc(F)n(C)n1.
What is the InChIKey of N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is BDVXWEWXWXMUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3/c1-13(2)31-15-7-19-24-16(22-6-5-21(3,11-22)30-12-22)10-28(19)9-14(15)20(29)25-18-8-17(23)27(4)26-18/h7-10,13H,5-6,11-12H2,1-4H3,(H,25,26,29).
What are the key properties of N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 155437117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).