1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

C11H13N5O2 — CID 84818655

IUPAC1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C11H13N5O2/c17-11(18)7-1-3-16(4-2-7)10-8-5-14-15-9(8)12-6-13-10/h5-7H,1-4H2,(H,17,18)(H,12,13,14,15)
InChIKeyLRTOOHIEUZHEKM-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.65
Rot. Bonds2

About 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 84818655) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID84818655
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C11H13N5O2/c17-11(18)7-1-3-16(4-2-7)10-8-5-14-15-9(8)12-6-13-10/h5-7H,1-4H2,(H,17,18)(H,12,13,14,15)
InChIKeyLRTOOHIEUZHEKM-UHFFFAOYSA-N
XLogP0.65
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 42226847
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138511220
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 84818658
(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol
CID 134711259
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 178107069
(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 97076436
5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 133278481
(2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 30804983
5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 163344597
1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 19137230
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 16627028

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (CID 84818655) is 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ncnc3[nH]ncc23)CC1.
What is the InChIKey of 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is LRTOOHIEUZHEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-11(18)7-1-3-16(4-2-7)10-8-5-14-15-9(8)12-6-13-10/h5-7H,1-4H2,(H,17,18)(H,12,13,14,15).
What are the key properties of 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 84818655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).