3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one

C18H18N4O — CID 68578733

IUPAC3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
SMILESCc1cccc(-c2nn3ccccc3c2C(=O)C=CN(C)C)n1
InChIInChI=1S/C18H18N4O/c1-13-7-6-8-14(19-13)18-17(16(23)10-12-21(2)3)15-9-4-5-11-22(15)20-18/h4-12H,1-3H3
InChIKeyMIXOUJIGXUPRDJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.96
Rot. Bonds4

About 3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one

3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one (PubChem CID 68578733) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
PubChem CID68578733
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
SMILESCc1cccc(-c2nn3ccccc3c2C(=O)C=CN(C)C)n1
InChIInChI=1S/C18H18N4O/c1-13-7-6-8-14(19-13)18-17(16(23)10-12-21(2)3)15-9-4-5-11-22(15)20-18/h4-12H,1-3H3
InChIKeyMIXOUJIGXUPRDJ-UHFFFAOYSA-N
XLogP2.96
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one (CID 68578733) is 3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one is Cc1cccc(-c2nn3ccccc3c2C(=O)C=CN(C)C)n1.
What is the InChIKey of 3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
The InChIKey is MIXOUJIGXUPRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-7-6-8-14(19-13)18-17(16(23)10-12-21(2)3)15-9-4-5-11-22(15)20-18/h4-12H,1-3H3.
What are the key properties of 3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one has a molecular weight of 306.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one is sourced from PubChem (CID 68578733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).