2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

C25H29N7O3 — CID 155436980

IUPAC2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCc1cnc2c(NC(=O)c3cn4cc(C56CCC(C)(CC5)CO6)nc4nc3OC(C)C)cnn2c1
InChIInChI=1S/C25H29N7O3/c1-15(2)35-22-17(21(33)28-18-10-27-32-11-16(3)9-26-20(18)32)12-31-13-19(29-23(31)30-22)25-7-5-24(4,6-8-25)14-34-25/h9-13,15H,5-8,14H2,1-4H3,(H,28,33)
InChIKeyPHHRYPLQZZOXQL-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.93
Rot. Bonds5

About 2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 155436980) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID155436980
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCc1cnc2c(NC(=O)c3cn4cc(C56CCC(C)(CC5)CO6)nc4nc3OC(C)C)cnn2c1
InChIInChI=1S/C25H29N7O3/c1-15(2)35-22-17(21(33)28-18-10-27-32-11-16(3)9-26-20(18)32)12-31-13-19(29-23(31)30-22)25-7-5-24(4,6-8-25)14-34-25/h9-13,15H,5-8,14H2,1-4H3,(H,28,33)
InChIKeyPHHRYPLQZZOXQL-UHFFFAOYSA-N
XLogP3.93
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-[(1R)-2,6-dioxabicyclo[3.2.1]octan-1-yl]-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 155444035
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-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 155444039
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
7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide
CID 166472411
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-[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
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-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
7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 167420052

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (CID 155436980) is 2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is Cc1cnc2c(NC(=O)c3cn4cc(C56CCC(C)(CC5)CO6)nc4nc3OC(C)C)cnn2c1.
What is the InChIKey of 2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is PHHRYPLQZZOXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-15(2)35-22-17(21(33)28-18-10-27-32-11-16(3)9-26-20(18)32)12-31-13-19(29-23(31)30-22)25-7-5-24(4,6-8-25)14-34-25/h9-13,15H,5-8,14H2,1-4H3,(H,28,33).
What are the key properties of 2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 155436980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).