4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine

C21H24N6O — CID 122656193

IUPAC4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine
SMILESCc1cnc(N2CCOCC2)n2nc(C(C)C)c(-c3ccc4[nH]ncc4c3)c12
InChIInChI=1S/C21H24N6O/c1-13(2)19-18(15-4-5-17-16(10-15)12-23-24-17)20-14(3)11-22-21(27(20)25-19)26-6-8-28-9-7-26/h4-5,10-13H,6-9H2,1-3H3,(H,23,24)
InChIKeyPYJAINCIHDJSGQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.54
Rot. Bonds3

About 4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine

4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine (PubChem CID 122656193) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine
PubChem CID122656193
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine
SMILESCc1cnc(N2CCOCC2)n2nc(C(C)C)c(-c3ccc4[nH]ncc4c3)c12
InChIInChI=1S/C21H24N6O/c1-13(2)19-18(15-4-5-17-16(10-15)12-23-24-17)20-14(3)11-22-21(27(20)25-19)26-6-8-28-9-7-26/h4-5,10-13H,6-9H2,1-3H3,(H,23,24)
InChIKeyPYJAINCIHDJSGQ-UHFFFAOYSA-N
XLogP3.54
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine (CID 122656193) is 4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine is Cc1cnc(N2CCOCC2)n2nc(C(C)C)c(-c3ccc4[nH]ncc4c3)c12.
What is the InChIKey of 4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine?
The InChIKey is PYJAINCIHDJSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-13(2)19-18(15-4-5-17-16(10-15)12-23-24-17)20-14(3)11-22-21(27(20)25-19)26-6-8-28-9-7-26/h4-5,10-13H,6-9H2,1-3H3,(H,23,24).
What are the key properties of 4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine?
4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine has a molecular weight of 376.46 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-indazol-5-yl)-4-methyl-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 122656193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).