1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one

C23H22N6O3 — CID 145296032

IUPAC1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)N1CCC(n2c3c(n(-c4ccc(Oc5cccnn5)cc4)c2=O)=CNCC=3)C1
InChIInChI=1S/C23H22N6O3/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/h2-9,11,14,17,24H,1,10,12-13,15H2
InChIKeyDTMKRRROIQZDCV-UHFFFAOYSA-N
MW430.47 g/mol
LogP0.30
Rot. Bonds5

About 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one

1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one (PubChem CID 145296032) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one
PubChem CID145296032
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)N1CCC(n2c3c(n(-c4ccc(Oc5cccnn5)cc4)c2=O)=CNCC=3)C1
InChIInChI=1S/C23H22N6O3/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/h2-9,11,14,17,24H,1,10,12-13,15H2
InChIKeyDTMKRRROIQZDCV-UHFFFAOYSA-N
XLogP0.30
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-chloro-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-5,6-dihydroimidazo[4,5-c]pyridin-2-one
CID 145296065
1-(4-phenoxyphenyl)-3-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-b]pyridin-2-one
CID 129032034
6-(hydroxyamino)-7-(4-phenoxyphenyl)-9-(1-prop-2-enoylpyrrolidin-3-yl)purin-8-one
CID 129032329
3-[4-(3,4-dichlorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129051787
4-methoxy-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129052418
3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129032107
3-[3-chloro-4-(4-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
CID 129031912
3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129031905
3-[3-fluoro-4-(3-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129032038
6-oxo-N-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-7-(5-pyridazin-3-yloxy-2-pyridinyl)-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide
CID 129220218
3-(3-chloro-4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[4,5-c]pyridin-2-one
CID 129031940
3-[4-[(2,4-difluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 129051841

Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one (CID 145296032) is 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one is C=CC(=O)N1CCC(n2c3c(n(-c4ccc(Oc5cccnn5)cc4)c2=O)=CNCC=3)C1.
What is the InChIKey of 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one?
The InChIKey is DTMKRRROIQZDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/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/h2-9,11,14,17,24H,1,10,12-13,15H2.
What are the key properties of 1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one?
1-(1-prop-2-enoylpyrrolidin-3-yl)-3-(4-pyridazin-3-yloxyphenyl)-5,6-dihydroimidazo[4,5-c]pyridin-2-one has a molecular weight of 430.47 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 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)-5,6-dihydroimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 145296032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).