1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid

C17H24N6O3 — CID 95463470

IUPAC1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid
SMILESNc1nc(N2CCC(C[C@H]3CCCCO3)(C(=O)O)CC2)c2cn[nH]c2n1
InChIInChI=1S/C17H24N6O3/c18-16-20-13-12(10-19-22-13)14(21-16)23-6-4-17(5-7-23,15(24)25)9-11-3-1-2-8-26-11/h10-11H,1-9H2,(H,24,25)(H3,18,19,20,21,22)/t11-/m1/s1
InChIKeyMTXZWTSMQKQGSJ-LLVKDONJSA-N
MW360.42 g/mol
LogP1.57
Rot. Bonds4

About 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid

1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 95463470) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID95463470
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid
SMILESNc1nc(N2CCC(C[C@H]3CCCCO3)(C(=O)O)CC2)c2cn[nH]c2n1
InChIInChI=1S/C17H24N6O3/c18-16-20-13-12(10-19-22-13)14(21-16)23-6-4-17(5-7-23,15(24)25)9-11-3-1-2-8-26-11/h10-11H,1-9H2,(H,24,25)(H3,18,19,20,21,22)/t11-/m1/s1
InChIKeyMTXZWTSMQKQGSJ-LLVKDONJSA-N
XLogP1.57
TPSA130.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-(oxan-2-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylic acid
CID 56872373
1-(8-chloroquinolin-2-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid
CID 95557663
2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 70725204
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylic acid
CID 56867805
(3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol
CID 133129460
2-[4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 56748458
4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine
CID 178106768
4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 39782435
6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide
CID 95549432
ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(2-phenylethyl)piperidine-4-carboxylate
CID 25447850
ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 42117656
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 67163166

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid (CID 95463470) is 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid is Nc1nc(N2CCC(C[C@H]3CCCCO3)(C(=O)O)CC2)c2cn[nH]c2n1.
What is the InChIKey of 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is MTXZWTSMQKQGSJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H24N6O3/c18-16-20-13-12(10-19-22-13)14(21-16)23-6-4-17(5-7-23,15(24)25)9-11-3-1-2-8-26-11/h10-11H,1-9H2,(H,24,25)(H3,18,19,20,21,22)/t11-/m1/s1.
What are the key properties of 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid?
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 360.42 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 95463470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).