6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C21H26N6O2 — CID 137275458

IUPAC6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCC(CN3CCOCC3)C2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C21H26N6O2/c28-20-18-13-22-27(17-6-2-1-3-7-17)19(18)23-21(24-20)26-8-4-5-16(15-26)14-25-9-11-29-12-10-25/h1-3,6-7,13,16H,4-5,8-12,14-15H2,(H,23,24,28)
InChIKeyBSHHRVUCBJXTIU-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.66
Rot. Bonds4

About 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137275458) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137275458
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCC(CN3CCOCC3)C2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C21H26N6O2/c28-20-18-13-22-27(17-6-2-1-3-7-17)19(18)23-21(24-20)26-8-4-5-16(15-26)14-25-9-11-29-12-10-25/h1-3,6-7,13,16H,4-5,8-12,14-15H2,(H,23,24,28)
InChIKeyBSHHRVUCBJXTIU-UHFFFAOYSA-N
XLogP1.66
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136757977
1-tert-butyl-6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275457
6-[(3S)-3-hydroxypiperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136757975
6-[2-(oxolan-2-yl)morpholin-4-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166216929
4-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)morpholine-2-carbonitrile
CID 137275165
1-phenyl-6-piperazin-1-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991240
6-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267483
1-phenyl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137268769
6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137268735
6-[2-(phenoxymethyl)pyrrolidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137263067
6-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137248397
6-[4-(3,5-dimethoxyphenyl)-1,4-diazepan-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166217841

Frequently Asked Questions

What is the IUPAC name of 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137275458) is 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(N2CCCC(CN3CCOCC3)C2)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BSHHRVUCBJXTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c28-20-18-13-22-27(17-6-2-1-3-7-17)19(18)23-21(24-20)26-8-4-5-16(15-26)14-25-9-11-29-12-10-25/h1-3,6-7,13,16H,4-5,8-12,14-15H2,(H,23,24,28).
What are the key properties of 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 394.48 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137275458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).