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

C22H23N7O3 — CID 177376357

IUPAC2-(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
SMILESCC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cnn2ccncc12
InChIInChI=1S/C22H23N7O3/c1-13(2)32-19-14(18(30)25-15-6-24-29-5-4-23-7-16(15)29)8-28-9-17(26-20(28)27-19)22-10-21(3,11-22)31-12-22/h4-9,13H,10-12H2,1-3H3,(H,25,30)
InChIKeyGROSWODTILCEFU-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.63
Rot. Bonds5

About 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

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 (PubChem CID 177376357) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID177376357
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name2-(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
SMILESCC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cnn2ccncc12
InChIInChI=1S/C22H23N7O3/c1-13(2)32-19-14(18(30)25-15-6-24-29-5-4-23-7-16(15)29)8-28-9-17(26-20(28)27-19)22-10-21(3,11-22)31-12-22/h4-9,13H,10-12H2,1-3H3,(H,25,30)
InChIKeyGROSWODTILCEFU-UHFFFAOYSA-N
XLogP2.63
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cnn2ccncc12.
What is the InChIKey of 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?
The InChIKey is GROSWODTILCEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-13(2)32-19-14(18(30)25-15-6-24-29-5-4-23-7-16(15)29)8-28-9-17(26-20(28)27-19)22-10-21(3,11-22)31-12-22/h4-9,13H,10-12H2,1-3H3,(H,25,30).
What are the key properties of 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?
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 has a molecular weight of 433.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177376357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).