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

C20H22N6O — CID 122656038

IUPAC4-[3-(1H-indazol-5-yl)-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine
SMILESCC(C)c1nn2c(N3CCOCC3)nccc2c1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H22N6O/c1-13(2)19-18(14-3-4-16-15(11-14)12-22-23-16)17-5-6-21-20(26(17)24-19)25-7-9-27-10-8-25/h3-6,11-13H,7-10H2,1-2H3,(H,22,23)
InChIKeyDXMKTNNQVLUUPE-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.23
Rot. Bonds3

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

4-[3-(1H-indazol-5-yl)-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine (PubChem CID 122656038) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-[3-(1H-indazol-5-yl)-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[3-(1H-indazol-5-yl)-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine
PubChem CID122656038
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-[3-(1H-indazol-5-yl)-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine
SMILESCC(C)c1nn2c(N3CCOCC3)nccc2c1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H22N6O/c1-13(2)19-18(14-3-4-16-15(11-14)12-22-23-16)17-5-6-21-20(26(17)24-19)25-7-9-27-10-8-25/h3-6,11-13H,7-10H2,1-2H3,(H,22,23)
InChIKeyDXMKTNNQVLUUPE-UHFFFAOYSA-N
XLogP3.23
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.23
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)-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[3-(1H-indazol-5-yl)-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine (CID 122656038) is 4-[3-(1H-indazol-5-yl)-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[3-(1H-indazol-5-yl)-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[3-(1H-indazol-5-yl)-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine is CC(C)c1nn2c(N3CCOCC3)nccc2c1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 4-[3-(1H-indazol-5-yl)-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine?
The InChIKey is DXMKTNNQVLUUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-13(2)19-18(14-3-4-16-15(11-14)12-22-23-16)17-5-6-21-20(26(17)24-19)25-7-9-27-10-8-25/h3-6,11-13H,7-10H2,1-2H3,(H,22,23).
What are the key properties of 4-[3-(1H-indazol-5-yl)-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine?
4-[3-(1H-indazol-5-yl)-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine has a molecular weight of 362.44 g/mol, XLogP of 3.23, 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)-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 122656038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).