1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide

C21H23FN6O3 — CID 16882684

IUPAC1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide
SMILESCc1nc2c(cnn2-c2ccc(F)cc2)c(=O)n1CCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C21H23FN6O3/c1-13-25-20-17(12-24-28(20)16-4-2-15(22)3-5-16)21(31)27(13)11-8-18(29)26-9-6-14(7-10-26)19(23)30/h2-5,12,14H,6-11H2,1H3,(H2,23,30)
InChIKeyKUPSDVDPXPKRON-UHFFFAOYSA-N
MW426.45 g/mol
LogP1.14
Rot. Bonds5

About 1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide

1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide (PubChem CID 16882684) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is 1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide
PubChem CID16882684
Molecular FormulaC21H23FN6O3
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC Name1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide
SMILESCc1nc2c(cnn2-c2ccc(F)cc2)c(=O)n1CCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C21H23FN6O3/c1-13-25-20-17(12-24-28(20)16-4-2-15(22)3-5-16)21(31)27(13)11-8-18(29)26-9-6-14(7-10-26)19(23)30/h2-5,12,14H,6-11H2,1H3,(H2,23,30)
InChIKeyKUPSDVDPXPKRON-UHFFFAOYSA-N
XLogP1.14
TPSA116.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882679
5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882516
1-(4-fluorophenyl)-6-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16882521
N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882681
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 16882909
5-[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882585
4-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide
CID 16882690
N-benzyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882556
N-[(2-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882557
N-[(2,6-difluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882676
N-(2,5-difluorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882629
N-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide
CID 16882579

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide (CID 16882684) is 1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide is Cc1nc2c(cnn2-c2ccc(F)cc2)c(=O)n1CCC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide?
The InChIKey is KUPSDVDPXPKRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-13-25-20-17(12-24-28(20)16-4-2-15(22)3-5-16)21(31)27(13)11-8-18(29)26-9-6-14(7-10-26)19(23)30/h2-5,12,14H,6-11H2,1H3,(H2,23,30).
What are the key properties of 1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide?
1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide has a molecular weight of 426.45 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 16882684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).