2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C23H29N5O3 — CID 155436920

IUPAC2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(C34CCC(C)(CC3)OC4)cn2cc1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C23H29N5O3/c1-15(2)31-17-11-20-24-18(23-8-6-22(3,7-9-23)30-14-23)13-28(20)12-16(17)21(29)25-19-5-10-27(4)26-19/h5,10-13,15H,6-9,14H2,1-4H3,(H,25,26,29)
InChIKeySYIJJKQGUJJCLG-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.71
Rot. Bonds5

About 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 155436920) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID155436920
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(C34CCC(C)(CC3)OC4)cn2cc1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C23H29N5O3/c1-15(2)31-17-11-20-24-18(23-8-6-22(3,7-9-23)30-14-23)13-28(20)12-16(17)21(29)25-19-5-10-27(4)26-19/h5,10-13,15H,6-9,14H2,1-4H3,(H,25,26,29)
InChIKeySYIJJKQGUJJCLG-UHFFFAOYSA-N
XLogP3.71
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Related Compounds

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
N-(5-fluoro-1-methylpyrazol-3-yl)-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 155437185
7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 167420281
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyridin-2-ylimidazo[1,2-a]pyridine-6-carboxamide
CID 155443934
N-(5-fluoro-2-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 167420058
N-(2-cyclopropyl-3-oxopyridazin-4-yl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 164555050
2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 167420223
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 164555001
N-[2-(difluoromethoxy)-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 155443924
7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-[1-(trifluoromethyl)pyrazol-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 167420300
6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655612
2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 155437289

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 155436920) is 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(C34CCC(C)(CC3)OC4)cn2cc1C(=O)Nc1ccn(C)n1.
What is the InChIKey of 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is SYIJJKQGUJJCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15(2)31-17-11-20-24-18(23-8-6-22(3,7-9-23)30-14-23)13-28(20)12-16(17)21(29)25-19-5-10-27(4)26-19/h5,10-13,15H,6-9,14H2,1-4H3,(H,25,26,29).
What are the key properties of 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-N-(1-methylpyrazol-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 155436920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).