6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine

C19H24N7+ — CID 58611185

IUPAC6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine
SMILES[H]/N=C1\C=C(N)/C(=N/c2cnn3ccccc23)N=C1C1CC[N+](C)(C)CC1
InChIInChI=1S/C19H24N7/c1-26(2)9-6-13(7-10-26)18-14(20)11-15(21)19(24-18)23-16-12-22-25-8-4-3-5-17(16)25/h3-5,8,11-13,20H,6-7,9-10,21H2,1-2H3/q+1/b20-14+,23-19-
InChIKeyWXLNNSLPNZHDRK-PLZCPHGYSA-N
MW350.45 g/mol
LogP2.17
Rot. Bonds2

About 6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine

6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine (PubChem CID 58611185) has the molecular formula C19H24N7+ and a molecular weight of 350.45 g/mol. Its IUPAC name is 6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine.

Molecular Properties

Compound Name6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine
PubChem CID58611185
Molecular FormulaC19H24N7+
Molecular Weight350.45 g/mol
Exact Mass350.21
IUPAC Name6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine
SMILES[H]/N=C1\C=C(N)/C(=N/c2cnn3ccccc23)N=C1C1CC[N+](C)(C)CC1
InChIInChI=1S/C19H24N7/c1-26(2)9-6-13(7-10-26)18-14(20)11-15(21)19(24-18)23-16-12-22-25-8-4-3-5-17(16)25/h3-5,8,11-13,20H,6-7,9-10,21H2,1-2H3/q+1/b20-14+,23-19-
InChIKeyWXLNNSLPNZHDRK-PLZCPHGYSA-N
XLogP2.17
TPSA91.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine?
The IUPAC name of 6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine (CID 58611185) is 6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine.
What is the SMILES notation for 6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine?
The canonical SMILES for 6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine is [H]/N=C1\C=C(N)/C(=N/c2cnn3ccccc23)N=C1C1CC[N+](C)(C)CC1.
What is the InChIKey of 6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine?
The InChIKey is WXLNNSLPNZHDRK-PLZCPHGYSA-N. The full InChI is InChI=1S/C19H24N7/c1-26(2)9-6-13(7-10-26)18-14(20)11-15(21)19(24-18)23-16-12-22-25-8-4-3-5-17(16)25/h3-5,8,11-13,20H,6-7,9-10,21H2,1-2H3/q+1/b20-14+,23-19-.
What are the key properties of 6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine?
6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine has a molecular weight of 350.45 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dimethylpiperidin-1-ium-4-yl)-5-imino-2-pyrazolo[1,5-a]pyridin-3-yliminopyridin-3-amine is sourced from PubChem (CID 58611185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).