2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one

C19H24N6O — CID 91506519

IUPAC2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one
SMILES[H]/N=C1\C=C/C(=N\c2c(NCCN(CC)CC)nn3ccccc23)C(=O)C1
InChIInChI=1S/C19H24N6O/c1-3-24(4-2)12-10-21-19-18(16-7-5-6-11-25(16)23-19)22-15-9-8-14(20)13-17(15)26/h5-9,11,20H,3-4,10,12-13H2,1-2H3,(H,21,23)/b20-14+,22-15+
InChIKeyMQXVDCSJIQMOGV-WOFUFUJRSA-N
MW352.44 g/mol
LogP2.71
Rot. Bonds7

About 2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one

2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one (PubChem CID 91506519) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one.

Molecular Properties

Compound Name2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one
PubChem CID91506519
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one
SMILES[H]/N=C1\C=C/C(=N\c2c(NCCN(CC)CC)nn3ccccc23)C(=O)C1
InChIInChI=1S/C19H24N6O/c1-3-24(4-2)12-10-21-19-18(16-7-5-6-11-25(16)23-19)22-15-9-8-14(20)13-17(15)26/h5-9,11,20H,3-4,10,12-13H2,1-2H3,(H,21,23)/b20-14+,22-15+
InChIKeyMQXVDCSJIQMOGV-WOFUFUJRSA-N
XLogP2.71
TPSA85.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one?
The IUPAC name of 2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one (CID 91506519) is 2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one.
What is the SMILES notation for 2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one?
The canonical SMILES for 2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one is [H]/N=C1\C=C/C(=N\c2c(NCCN(CC)CC)nn3ccccc23)C(=O)C1.
What is the InChIKey of 2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one?
The InChIKey is MQXVDCSJIQMOGV-WOFUFUJRSA-N. The full InChI is InChI=1S/C19H24N6O/c1-3-24(4-2)12-10-21-19-18(16-7-5-6-11-25(16)23-19)22-15-9-8-14(20)13-17(15)26/h5-9,11,20H,3-4,10,12-13H2,1-2H3,(H,21,23)/b20-14+,22-15+.
What are the key properties of 2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one?
2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one has a molecular weight of 352.44 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one is sourced from PubChem (CID 91506519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).