3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine

C16H22BrN5O2 — CID 154868114

IUPAC3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESBrc1cnn2ccnc(NCC3(N4CCOCC4)CCCOC3)c12
InChIInChI=1S/C16H22BrN5O2/c17-13-10-20-22-4-3-18-15(14(13)22)19-11-16(2-1-7-24-12-16)21-5-8-23-9-6-21/h3-4,10H,1-2,5-9,11-12H2,(H,18,19)
InChIKeyWMGGSOYJYNSPAD-UHFFFAOYSA-N
MW396.29 g/mol
LogP1.79
Rot. Bonds4

About 3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine

3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 154868114) has the molecular formula C16H22BrN5O2 and a molecular weight of 396.29 g/mol. Its IUPAC name is 3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID154868114
Molecular FormulaC16H22BrN5O2
Molecular Weight396.29 g/mol
Exact Mass395.10
IUPAC Name3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESBrc1cnn2ccnc(NCC3(N4CCOCC4)CCCOC3)c12
InChIInChI=1S/C16H22BrN5O2/c17-13-10-20-22-4-3-18-15(14(13)22)19-11-16(2-1-7-24-12-16)21-5-8-23-9-6-21/h3-4,10H,1-2,5-9,11-12H2,(H,18,19)
InChIKeyWMGGSOYJYNSPAD-UHFFFAOYSA-N
XLogP1.79
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine (CID 154868114) is 3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine is Brc1cnn2ccnc(NCC3(N4CCOCC4)CCCOC3)c12.
What is the InChIKey of 3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is WMGGSOYJYNSPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN5O2/c17-13-10-20-22-4-3-18-15(14(13)22)19-11-16(2-1-7-24-12-16)21-5-8-23-9-6-21/h3-4,10H,1-2,5-9,11-12H2,(H,18,19).
What are the key properties of 3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 396.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 154868114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).