(3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol

C16H25N7O — CID 133129460

IUPAC(3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol
SMILESNc1nc(N2CC[C@H](N3CCCCCC3)[C@@H](O)C2)c2cn[nH]c2n1
InChIInChI=1S/C16H25N7O/c17-16-19-14-11(9-18-21-14)15(20-16)23-8-5-12(13(24)10-23)22-6-3-1-2-4-7-22/h9,12-13,24H,1-8,10H2,(H3,17,18,19,20,21)/t12-,13-/m0/s1
InChIKeyKVUCIXQXSZTGAM-STQMWFEESA-N
MW331.42 g/mol
LogP0.75
Rot. Bonds2

About (3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol

(3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol (PubChem CID 133129460) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is (3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol
PubChem CID133129460
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name(3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol
SMILESNc1nc(N2CC[C@H](N3CCCCCC3)[C@@H](O)C2)c2cn[nH]c2n1
InChIInChI=1S/C16H25N7O/c17-16-19-14-11(9-18-21-14)15(20-16)23-8-5-12(13(24)10-23)22-6-3-1-2-4-7-22/h9,12-13,24H,1-8,10H2,(H3,17,18,19,20,21)/t12-,13-/m0/s1
InChIKeyKVUCIXQXSZTGAM-STQMWFEESA-N
XLogP0.75
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 39782435
(5R)-2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
CID 97202341
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol
CID 178104706
[1-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629759
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 67163166
4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178105507
[1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 178104863
N-[1-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 113402563
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid
CID 95463470
4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine
CID 166278947
3-methyl-1-[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]piperidin-4-ol
CID 114683927
(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol
CID 134711259

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol?
The IUPAC name of (3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol (CID 133129460) is (3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol?
The canonical SMILES for (3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol is Nc1nc(N2CC[C@H](N3CCCCCC3)[C@@H](O)C2)c2cn[nH]c2n1.
What is the InChIKey of (3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol?
The InChIKey is KVUCIXQXSZTGAM-STQMWFEESA-N. The full InChI is InChI=1S/C16H25N7O/c17-16-19-14-11(9-18-21-14)15(20-16)23-8-5-12(13(24)10-23)22-6-3-1-2-4-7-22/h9,12-13,24H,1-8,10H2,(H3,17,18,19,20,21)/t12-,13-/m0/s1.
What are the key properties of (3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol?
(3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol has a molecular weight of 331.42 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol is sourced from PubChem (CID 133129460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).