1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide

C18H20N6O2 — CID 661360

IUPAC1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)cc1
InChIInChI=1S/C18H20N6O2/c1-26-14-4-2-13(3-5-14)24-18-15(10-22-24)17(20-11-21-18)23-8-6-12(7-9-23)16(19)25/h2-5,10-12H,6-9H2,1H3,(H2,19,25)
InChIKeyYWFYZVSYSGCWRK-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.53
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide

1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 661360) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID661360
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)cc1
InChIInChI=1S/C18H20N6O2/c1-26-14-4-2-13(3-5-14)24-18-15(10-22-24)17(20-11-21-18)23-8-6-12(7-9-23)16(19)25/h2-5,10-12H,6-9H2,1H3,(H2,19,25)
InChIKeyYWFYZVSYSGCWRK-UHFFFAOYSA-N
XLogP1.53
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 661360) is 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is COc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is YWFYZVSYSGCWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-26-14-4-2-13(3-5-14)24-18-15(10-22-24)17(20-11-21-18)23-8-6-12(7-9-23)16(19)25/h2-5,10-12H,6-9H2,1H3,(H2,19,25).
What are the key properties of 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 661360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).