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

C24H22N6O — CID 122655873

IUPAC4-[3-(1H-indazol-5-yl)-4-methyl-2-phenylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine
SMILESCc1cnc(N2CCOCC2)n2nc(-c3ccccc3)c(-c3ccc4[nH]ncc4c3)c12
InChIInChI=1S/C24H22N6O/c1-16-14-25-24(29-9-11-31-12-10-29)30-23(16)21(22(28-30)17-5-3-2-4-6-17)18-7-8-20-19(13-18)15-26-27-20/h2-8,13-15H,9-12H2,1H3,(H,26,27)
InChIKeyKUTMABJDDSMXNW-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.08
Rot. Bonds3

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

4-[3-(1H-indazol-5-yl)-4-methyl-2-phenylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine (PubChem CID 122655873) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-[3-(1H-indazol-5-yl)-4-methyl-2-phenylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[3-(1H-indazol-5-yl)-4-methyl-2-phenylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine
PubChem CID122655873
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name4-[3-(1H-indazol-5-yl)-4-methyl-2-phenylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine
SMILESCc1cnc(N2CCOCC2)n2nc(-c3ccccc3)c(-c3ccc4[nH]ncc4c3)c12
InChIInChI=1S/C24H22N6O/c1-16-14-25-24(29-9-11-31-12-10-29)30-23(16)21(22(28-30)17-5-3-2-4-6-17)18-7-8-20-19(13-18)15-26-27-20/h2-8,13-15H,9-12H2,1H3,(H,26,27)
InChIKeyKUTMABJDDSMXNW-UHFFFAOYSA-N
XLogP4.08
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.08
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-phenylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[3-(1H-indazol-5-yl)-4-methyl-2-phenylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine (CID 122655873) is 4-[3-(1H-indazol-5-yl)-4-methyl-2-phenylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[3-(1H-indazol-5-yl)-4-methyl-2-phenylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[3-(1H-indazol-5-yl)-4-methyl-2-phenylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine is Cc1cnc(N2CCOCC2)n2nc(-c3ccccc3)c(-c3ccc4[nH]ncc4c3)c12.
What is the InChIKey of 4-[3-(1H-indazol-5-yl)-4-methyl-2-phenylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine?
The InChIKey is KUTMABJDDSMXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-16-14-25-24(29-9-11-31-12-10-29)30-23(16)21(22(28-30)17-5-3-2-4-6-17)18-7-8-20-19(13-18)15-26-27-20/h2-8,13-15H,9-12H2,1H3,(H,26,27).
What are the key properties of 4-[3-(1H-indazol-5-yl)-4-methyl-2-phenylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine?
4-[3-(1H-indazol-5-yl)-4-methyl-2-phenylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine has a molecular weight of 410.48 g/mol, XLogP of 4.08, 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-phenylpyrazolo[1,5-c]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 122655873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).