2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

C21H23N5O4 — CID 167143090

IUPAC2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C21H23N5O4/c1-12(2)30-18-13(16(27)23-14-5-4-6-22-17(14)28)7-26-8-15(24-19(26)25-18)21-9-20(3,10-21)29-11-21/h4-8,12H,9-11H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyOAQWKPKYSGXHTA-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.28
Rot. Bonds5

About 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 167143090) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID167143090
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C21H23N5O4/c1-12(2)30-18-13(16(27)23-14-5-4-6-22-17(14)28)7-26-8-15(24-19(26)25-18)21-9-20(3,10-21)29-11-21/h4-8,12H,9-11H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyOAQWKPKYSGXHTA-UHFFFAOYSA-N
XLogP2.28
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 164554820
N-[1-[(1S,2S)-2-ethylcyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 164555109
N-[6-(dimethylamino)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 167420008
N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 155443959
N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 164554883
N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 164555090
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrazin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide
CID 177376357
2-(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 155437289
N-[(2E,4Z)-5-[formyl-(1-methylcyclopropyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 167142667
2-methoxy-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazin-6-yl]benzamide
CID 154655803
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-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 167142934

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (CID 167143090) is 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1ccc[nH]c1=O.
What is the InChIKey of 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is OAQWKPKYSGXHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-12(2)30-18-13(16(27)23-14-5-4-6-22-17(14)28)7-26-8-15(24-19(26)25-18)21-9-20(3,10-21)29-11-21/h4-8,12H,9-11H2,1-3H3,(H,22,28)(H,23,27).
What are the key properties of 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 167143090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).