1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one

C23H20N6O3 — CID 129051799

IUPAC1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccnn4)cc3)c3cnccc32)C1
InChIInChI=1S/C23H20N6O3/c1-2-22(30)27-13-10-17(15-27)29-19-9-12-24-14-20(19)28(23(29)31)16-5-7-18(8-6-16)32-21-4-3-11-25-26-21/h2-9,11-12,14,17H,1,10,13,15H2
InChIKeyKFKMIQQXMCQRRO-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.73
Rot. Bonds5

About 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one

1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one (PubChem CID 129051799) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one
PubChem CID129051799
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Name1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccnn4)cc3)c3cnccc32)C1
InChIInChI=1S/C23H20N6O3/c1-2-22(30)27-13-10-17(15-27)29-19-9-12-24-14-20(19)28(23(29)31)16-5-7-18(8-6-16)32-21-4-3-11-25-26-21/h2-9,11-12,14,17H,1,10,13,15H2
InChIKeyKFKMIQQXMCQRRO-UHFFFAOYSA-N
XLogP2.73
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one (CID 129051799) is 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one is C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccnn4)cc3)c3cnccc32)C1.
What is the InChIKey of 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is KFKMIQQXMCQRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3/c1-2-22(30)27-13-10-17(15-27)29-19-9-12-24-14-20(19)28(23(29)31)16-5-7-18(8-6-16)32-21-4-3-11-25-26-21/h2-9,11-12,14,17H,1,10,13,15H2.
What are the key properties of 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one?
1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 428.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 129051799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).