1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one

C23H25N7O2 — CID 154329504

IUPAC1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCn1ncc2c(N3CCOCC3)nc(-c3ccc4[nH]ccc4c3)nc21
InChIInChI=1S/C23H25N7O2/c31-20-2-1-7-28(20)8-9-30-23-18(15-25-30)22(29-10-12-32-13-11-29)26-21(27-23)17-3-4-19-16(14-17)5-6-24-19/h3-6,14-15,24H,1-2,7-13H2
InChIKeySJKMKKAGCLGSDC-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.43
Rot. Bonds5

About 1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 154329504) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID154329504
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCn1ncc2c(N3CCOCC3)nc(-c3ccc4[nH]ccc4c3)nc21
InChIInChI=1S/C23H25N7O2/c31-20-2-1-7-28(20)8-9-30-23-18(15-25-30)22(29-10-12-32-13-11-29)26-21(27-23)17-3-4-19-16(14-17)5-6-24-19/h3-6,14-15,24H,1-2,7-13H2
InChIKeySJKMKKAGCLGSDC-UHFFFAOYSA-N
XLogP2.43
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 44520824
4-[6-(1H-indol-5-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 59807390
4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine
CID 58137143
4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine
CID 87344835
N-hydroxy-7-[6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]heptanamide
CID 155558136
4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 172556651
4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine
CID 46225260
4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 70702032
1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 17221800
4-[2-(4-fluorophenyl)-3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 122656030
[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate
CID 68866380
1-ethyl-3-[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]urea
CID 68865414

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one (CID 154329504) is 1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCn1ncc2c(N3CCOCC3)nc(-c3ccc4[nH]ccc4c3)nc21.
What is the InChIKey of 1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is SJKMKKAGCLGSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c31-20-2-1-7-28(20)8-9-30-23-18(15-25-30)22(29-10-12-32-13-11-29)26-21(27-23)17-3-4-19-16(14-17)5-6-24-19/h3-6,14-15,24H,1-2,7-13H2.
What are the key properties of 1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 431.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(1H-indol-5-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 154329504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).