3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one

C20H25N6O+ — CID 59561493

IUPAC3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one
SMILESC[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(N)=CC2=O)CCCC1
InChIInChI=1S/C20H24N6O/c1-26(11-4-5-12-26)13-9-22-20-19(17-6-2-3-10-25(17)24-20)23-16-8-7-15(21)14-18(16)27/h2-3,6-8,10,14H,4-5,9,11-13H2,1H3,(H2-,21,22,24,27)/p+1/b23-16+
InChIKeyXJEIYGNSTVSZCV-XQNSMLJCSA-O
MW365.46 g/mol
LogP2.04
Rot. Bonds5

About 3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one

3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one (PubChem CID 59561493) has the molecular formula C20H25N6O+ and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one
PubChem CID59561493
Molecular FormulaC20H25N6O+
Molecular Weight365.46 g/mol
Exact Mass365.21
IUPAC Name3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one
SMILESC[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(N)=CC2=O)CCCC1
InChIInChI=1S/C20H24N6O/c1-26(11-4-5-12-26)13-9-22-20-19(17-6-2-3-10-25(17)24-20)23-16-8-7-15(21)14-18(16)27/h2-3,6-8,10,14H,4-5,9,11-13H2,1H3,(H2-,21,22,24,27)/p+1/b23-16+
InChIKeyXJEIYGNSTVSZCV-XQNSMLJCSA-O
XLogP2.04
TPSA84.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one 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-(4-Ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89740667
2-(4,6-Dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741251
N-(pyrazolo[1,5-a]pyridin-2-yl)acetamide
CID 22402079
N-Pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide
CID 132317237
N-(3-methoxypropyl)-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide
CID 16028853
N-Butyl-4-[2-(1-methyl-1H-pyrrol-2-YL)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL]butanamide
CID 16028868
7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89741615
4-N-[4-(dimethylamino)cyclohexyl]-2-N-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 124172687
N-(sec-butyl)-4-[2-(1-methyl-1H-pyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]butanamide
CID 16028829
4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylbutanamide
CID 16028841
4-[2-(1-methyl-1H-pyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-N~1~-propylbutanamide
CID 16028843
N-ethyl-4-[2-(1-methyl-1H-pyrrol-2-yl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]butanamide
CID 16028866

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one?
The IUPAC name of 3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one (CID 59561493) is 3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one.
What is the SMILES notation for 3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one?
The canonical SMILES for 3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one is C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(N)=CC2=O)CCCC1.
What is the InChIKey of 3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one?
The InChIKey is XJEIYGNSTVSZCV-XQNSMLJCSA-O. The full InChI is InChI=1S/C20H24N6O/c1-26(11-4-5-12-26)13-9-22-20-19(17-6-2-3-10-25(17)24-20)23-16-8-7-15(21)14-18(16)27/h2-3,6-8,10,14H,4-5,9,11-13H2,1H3,(H2-,21,22,24,27)/p+1/b23-16+.
What are the key properties of 3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one?
3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one has a molecular weight of 365.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one is sourced from PubChem (CID 59561493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).