4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C23H20N6O — CID 44606823

IUPAC4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(-n2ncc3c(N4CCOCC4)nc(-c4ccc5[nH]ccc5c4)nc32)cc1
InChIInChI=1S/C23H20N6O/c1-2-4-18(5-3-1)29-23-19(15-25-29)22(28-10-12-30-13-11-28)26-21(27-23)17-6-7-20-16(14-17)8-9-24-20/h1-9,14-15,24H,10-13H2
InChIKeyBLWDCTWBBZULIS-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.80
Rot. Bonds3

About 4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 44606823) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID44606823
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(-n2ncc3c(N4CCOCC4)nc(-c4ccc5[nH]ccc5c4)nc32)cc1
InChIInChI=1S/C23H20N6O/c1-2-4-18(5-3-1)29-23-19(15-25-29)22(28-10-12-30-13-11-28)26-21(27-23)17-6-7-20-16(14-17)8-9-24-20/h1-9,14-15,24H,10-13H2
InChIKeyBLWDCTWBBZULIS-UHFFFAOYSA-N
XLogP3.80
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 44606823) is 4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is c1ccc(-n2ncc3c(N4CCOCC4)nc(-c4ccc5[nH]ccc5c4)nc32)cc1.
What is the InChIKey of 4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is BLWDCTWBBZULIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-2-4-18(5-3-1)29-23-19(15-25-29)22(28-10-12-30-13-11-28)26-21(27-23)17-6-7-20-16(14-17)8-9-24-20/h1-9,14-15,24H,10-13H2.
What are the key properties of 4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 396.45 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-indol-5-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 44606823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).