N-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

C22H22FN7O3 — CID 167420129

IUPACN-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cnn2cc(F)cnc12
InChIInChI=1S/C22H22FN7O3/c1-12(2)33-19-14(18(31)26-15-5-25-30-6-13(23)4-24-17(15)30)7-29-8-16(27-20(29)28-19)22-9-21(3,10-22)32-11-22/h4-8,12H,9-11H2,1-3H3,(H,26,31)
InChIKeyKDUNYRYIQJYBAL-UHFFFAOYSA-N
MW451.46 g/mol
LogP2.77
Rot. Bonds5

About N-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

N-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 167420129) has the molecular formula C22H22FN7O3 and a molecular weight of 451.46 g/mol. Its IUPAC name is N-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID167420129
Molecular FormulaC22H22FN7O3
Molecular Weight451.46 g/mol
Exact Mass451.18
IUPAC NameN-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cnn2cc(F)cnc12
InChIInChI=1S/C22H22FN7O3/c1-12(2)33-19-14(18(31)26-15-5-25-30-6-13(23)4-24-17(15)30)7-29-8-16(27-20(29)28-19)22-9-21(3,10-22)32-11-22/h4-8,12H,9-11H2,1-3H3,(H,26,31)
InChIKeyKDUNYRYIQJYBAL-UHFFFAOYSA-N
XLogP2.77
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (CID 167420129) is N-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cnn2cc(F)cnc12.
What is the InChIKey of N-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is KDUNYRYIQJYBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O3/c1-12(2)33-19-14(18(31)26-15-5-25-30-6-13(23)4-24-17(15)30)7-29-8-16(27-20(29)28-19)22-9-21(3,10-22)32-11-22/h4-8,12H,9-11H2,1-3H3,(H,26,31).
What are the key properties of N-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
N-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 451.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 167420129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).