1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid

C12H15N5O2 — CID 43088533

IUPAC1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCn1ncc2c(N3CCCC(C(=O)O)C3)ncnc21
InChIInChI=1S/C12H15N5O2/c1-16-10-9(5-15-16)11(14-7-13-10)17-4-2-3-8(6-17)12(18)19/h5,7-8H,2-4,6H2,1H3,(H,18,19)
InChIKeyQMBSGPFCPIDNHY-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.66
Rot. Bonds2

About 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid

1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 43088533) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID43088533
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCn1ncc2c(N3CCCC(C(=O)O)C3)ncnc21
InChIInChI=1S/C12H15N5O2/c1-16-10-9(5-15-16)11(14-7-13-10)17-4-2-3-8(6-17)12(18)19/h5,7-8H,2-4,6H2,1H3,(H,18,19)
InChIKeyQMBSGPFCPIDNHY-UHFFFAOYSA-N
XLogP0.66
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 78920258
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 86808303
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 62357139
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163355013
1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one
CID 86808998
(3-aminocyclohexyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119840109
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66435958
1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine
CID 48933564
2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892137
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163358224
3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 86808870
1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 97075285

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid (CID 43088533) is 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid is Cn1ncc2c(N3CCCC(C(=O)O)C3)ncnc21.
What is the InChIKey of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is QMBSGPFCPIDNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-16-10-9(5-15-16)11(14-7-13-10)17-4-2-3-8(6-17)12(18)19/h5,7-8H,2-4,6H2,1H3,(H,18,19).
What are the key properties of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid?
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43088533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).