4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid

C12H15N5O2 — CID 140834541

IUPAC4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
SMILESC[C@H]1CCC[C@H]1n1nc(C(=O)O)c2c(N)ncnc21
InChIInChI=1S/C12H15N5O2/c1-6-3-2-4-7(6)17-11-8(9(16-17)12(18)19)10(13)14-5-15-11/h5-7H,2-4H2,1H3,(H,18,19)(H2,13,14,15)/t6-,7+/m0/s1
InChIKeyWLEYTHLCUDJMCI-NKWVEPMBSA-N
MW261.28 g/mol
LogP1.47
Rot. Bonds2

About 4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid

4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid (PubChem CID 140834541) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
PubChem CID140834541
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
SMILESC[C@H]1CCC[C@H]1n1nc(C(=O)O)c2c(N)ncnc21
InChIInChI=1S/C12H15N5O2/c1-6-3-2-4-7(6)17-11-8(9(16-17)12(18)19)10(13)14-5-15-11/h5-7H,2-4H2,1H3,(H,18,19)(H2,13,14,15)/t6-,7+/m0/s1
InChIKeyWLEYTHLCUDJMCI-NKWVEPMBSA-N
XLogP1.47
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 155602155
(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone
CID 56944373
3-[4-amino-3-(5-chloro-1,3-benzoxazole-2-carbonyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-tert-butylpiperidine-1-carboxylic acid
CID 118519890
6-amino-5-cyclobutylpyrimidine-4-carboxylic acid
CID 84664616
1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166884920
copper;1-cyclopropyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;diacetate
CID 175873270
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
2-[(1R,3R)-3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]acetic acid
CID 154996492
1-[(3S)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 170252655
tert-butyl (3R)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 126660812
3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611389
tert-butyl 3-(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
CID 71222871

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid (CID 140834541) is 4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid is C[C@H]1CCC[C@H]1n1nc(C(=O)O)c2c(N)ncnc21.
What is the InChIKey of 4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The InChIKey is WLEYTHLCUDJMCI-NKWVEPMBSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-6-3-2-4-7(6)17-11-8(9(16-17)12(18)19)10(13)14-5-15-11/h5-7H,2-4H2,1H3,(H,18,19)(H2,13,14,15)/t6-,7+/m0/s1.
What are the key properties of 4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 140834541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).