N-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane

C18H25N7O2S2 — CID 139471956

IUPACN-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane
SMILESCN(N)SOOCC1CC[C@H](Nc2ccnc3cc(-c4ccccn4)nn23)C1.S
InChIInChI=1S/C18H23N7O2S.H2S/c1-24(19)28-27-26-12-13-5-6-14(10-13)22-17-7-9-21-18-11-16(23-25(17)18)15-4-2-3-8-20-15;/h2-4,7-9,11,13-14,22H,5-6,10,12,19H2,1H3;1H2/t13?,14-;/m0./s1
InChIKeyGXGVVABHHBJGQZ-IJDFPQMLSA-N
MW435.58 g/mol
LogP2.80
Rot. Bonds8

About N-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane

N-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane (PubChem CID 139471956) has the molecular formula C18H25N7O2S2 and a molecular weight of 435.58 g/mol. Its IUPAC name is N-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane.

Molecular Properties

Compound NameN-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane
PubChem CID139471956
Molecular FormulaC18H25N7O2S2
Molecular Weight435.58 g/mol
Exact Mass435.15
IUPAC NameN-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane
SMILESCN(N)SOOCC1CC[C@H](Nc2ccnc3cc(-c4ccccn4)nn23)C1.S
InChIInChI=1S/C18H23N7O2S.H2S/c1-24(19)28-27-26-12-13-5-6-14(10-13)22-17-7-9-21-18-11-16(23-25(17)18)15-4-2-3-8-20-15;/h2-4,7-9,11,13-14,22H,5-6,10,12,19H2,1H3;1H2/t13?,14-;/m0./s1
InChIKeyGXGVVABHHBJGQZ-IJDFPQMLSA-N
XLogP2.80
TPSA102.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane 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

2-[(1S)-2-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethanol
CID 168269482
5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 164621890
(rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(6-(trifluoromethyl)pyridin-2-
CID 71715485
N,N-dimethyl-N'-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1-pyridin-2-ylethane-1,2-diamine
CID 56917261
(rac)-[(1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}cyclopentyl]methyl rel-sulfamate
CID 71715144
(rac)-((1R,2R,3S,4R)-4-(2-(6-tert-butylpyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7-
CID 71715434
5-phenyl-N-[3-(tetrahydro-3-furanyl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56883589
3-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-N-(2-pyridylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 122193822
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 100036050
5-(2-fluorophenyl)-N-[2-(methoxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 76438724
(6S)-2-methyl-6-[(1-methyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]heptan-2-ol
CID 95713399
3-[2-(2-cyclopropylethoxy)-6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
CID 58268944

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane?
The IUPAC name of N-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane (CID 139471956) is N-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane.
What is the SMILES notation for N-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane?
The canonical SMILES for N-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane is CN(N)SOOCC1CC[C@H](Nc2ccnc3cc(-c4ccccn4)nn23)C1.S.
What is the InChIKey of N-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane?
The InChIKey is GXGVVABHHBJGQZ-IJDFPQMLSA-N. The full InChI is InChI=1S/C18H23N7O2S.H2S/c1-24(19)28-27-26-12-13-5-6-14(10-13)22-17-7-9-21-18-11-16(23-25(17)18)15-4-2-3-8-20-15;/h2-4,7-9,11,13-14,22H,5-6,10,12,19H2,1H3;1H2/t13?,14-;/m0./s1.
What are the key properties of N-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane?
N-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane has a molecular weight of 435.58 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;sulfane is sourced from PubChem (CID 139471956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).