1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

C15H18N8O2 — CID 70763853

IUPAC1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(c3nc(N)nc4nc[nH]c34)CC2)c1
InChIInChI=1S/C15H18N8O2/c1-9-6-19-23(7-9)15(13(24)25)2-4-22(5-3-15)12-10-11(18-8-17-10)20-14(16)21-12/h6-8H,2-5H2,1H3,(H,24,25)(H3,16,17,18,20,21)
InChIKeyYIDSCEABEUFPLS-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.52
Rot. Bonds3

About 1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 70763853) has the molecular formula C15H18N8O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID70763853
Molecular FormulaC15H18N8O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(c3nc(N)nc4nc[nH]c34)CC2)c1
InChIInChI=1S/C15H18N8O2/c1-9-6-19-23(7-9)15(13(24)25)2-4-22(5-3-15)12-10-11(18-8-17-10)20-14(16)21-12/h6-8H,2-5H2,1H3,(H,24,25)(H3,16,17,18,20,21)
InChIKeyYIDSCEABEUFPLS-UHFFFAOYSA-N
XLogP0.52
TPSA138.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70740424
1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 166212074
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-phenylmethanone
CID 39046359
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
1-(2-amino-7H-purin-6-yl)piperidine-3-carboxamide
CID 115669348
N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
CID 72881722
[4-(2-amino-7H-purin-6-yl)-1,4-diazepan-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
CID 138378235
1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol
CID 114749498

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 70763853) is 1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(c3nc(N)nc4nc[nH]c34)CC2)c1.
What is the InChIKey of 1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is YIDSCEABEUFPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O2/c1-9-6-19-23(7-9)15(13(24)25)2-4-22(5-3-15)12-10-11(18-8-17-10)20-14(16)21-12/h6-8H,2-5H2,1H3,(H,24,25)(H3,16,17,18,20,21).
What are the key properties of 1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 342.36 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70763853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).