6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane

C16H22BrN7O — CID 143441541

IUPAC6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
SMILESCC.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1
InChIInChI=1S/C14H16BrN7O.C2H6/c1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10;1-2/h4-5,7,10,17H,2-3,6,16H2,1H3;1-2H3
InChIKeyJIBRJWJJGJDKJC-UHFFFAOYSA-N
MW408.30 g/mol
LogP2.16
Rot. Bonds2

About 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane

6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane (PubChem CID 143441541) has the molecular formula C16H22BrN7O and a molecular weight of 408.30 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
PubChem CID143441541
Molecular FormulaC16H22BrN7O
Molecular Weight408.30 g/mol
Exact Mass407.11
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
SMILESCC.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1
InChIInChI=1S/C14H16BrN7O.C2H6/c1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10;1-2/h4-5,7,10,17H,2-3,6,16H2,1H3;1-2H3
InChIKeyJIBRJWJJGJDKJC-UHFFFAOYSA-N
XLogP2.16
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane (CID 143441541) is 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane.
What is the SMILES notation for 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane is CC.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1.
What is the InChIKey of 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The InChIKey is JIBRJWJJGJDKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN7O.C2H6/c1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10;1-2/h4-5,7,10,17H,2-3,6,16H2,1H3;1-2H3.
What are the key properties of 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane has a molecular weight of 408.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane is sourced from PubChem (CID 143441541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).