3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one

C78H69ClF2N12O10 — CID 159443854

IUPAC3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(C)c4F)cc3)c3cnccc32)C1.C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(Cl)c4C)cc3)c3cnccc32)C1.C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(F)c4OC)cc3)c3cnccc32)C1
InChIInChI=1S/C26H23ClN4O3.C26H23FN4O4.C26H23FN4O3/c1-3-25(32)29-14-12-19(16-29)31-22-11-13-28-15-23(22)30(26(31)33)18-7-9-20(10-8-18)34-24-6-4-5-21(27)17(24)2;1-3-24(32)29-14-12-18(16-29)31-21-11-13-28-15-22(21)30(26(31)33)17-7-9-19(10-8-17)35-23-6-4-5-20(27)25(23)34-2;1-3-24(32)29-14-12-19(16-29)31-21-11-13-28-15-22(21)30(26(31)33)18-7-9-20(10-8-18)34-23-6-4-5-17(2)25(23)27/h3-11,13,15,19H,1,12,14,16H2,2H3;3-11,13,15,18H,1,12,14,16H2,2H3;3-11,13,15,19H,1,12,14,16H2,2H3
InChIKeyLSMYAUWBJCYUBE-UHFFFAOYSA-N
MW1407.93 g/mol
LogP13.37
Rot. Bonds16

About 3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one

3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one (PubChem CID 159443854) has the molecular formula C78H69ClF2N12O10 and a molecular weight of 1407.93 g/mol. Its IUPAC name is 3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
PubChem CID159443854
Molecular FormulaC78H69ClF2N12O10
Molecular Weight1407.93 g/mol
Exact Mass1406.49
IUPAC Name3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
SMILESC=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(C)c4F)cc3)c3cnccc32)C1.C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(Cl)c4C)cc3)c3cnccc32)C1.C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(F)c4OC)cc3)c3cnccc32)C1
InChIInChI=1S/C26H23ClN4O3.C26H23FN4O4.C26H23FN4O3/c1-3-25(32)29-14-12-19(16-29)31-22-11-13-28-15-23(22)30(26(31)33)18-7-9-20(10-8-18)34-24-6-4-5-21(27)17(24)2;1-3-24(32)29-14-12-18(16-29)31-21-11-13-28-15-22(21)30(26(31)33)17-7-9-19(10-8-17)35-23-6-4-5-20(27)25(23)34-2;1-3-24(32)29-14-12-19(16-29)31-21-11-13-28-15-22(21)30(26(31)33)18-7-9-20(10-8-18)34-23-6-4-5-17(2)25(23)27/h3-11,13,15,19H,1,12,14,16H2,2H3;3-11,13,15,18H,1,12,14,16H2,2H3;3-11,13,15,19H,1,12,14,16H2,2H3
InChIKeyLSMYAUWBJCYUBE-UHFFFAOYSA-N
XLogP13.37
TPSA217.31 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001407.93
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one (CID 159443854) is 3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one is C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(C)c4F)cc3)c3cnccc32)C1.C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(Cl)c4C)cc3)c3cnccc32)C1.C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(F)c4OC)cc3)c3cnccc32)C1.
What is the InChIKey of 3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is LSMYAUWBJCYUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3.C26H23FN4O4.C26H23FN4O3/c1-3-25(32)29-14-12-19(16-29)31-22-11-13-28-15-23(22)30(26(31)33)18-7-9-20(10-8-18)34-24-6-4-5-21(27)17(24)2;1-3-24(32)29-14-12-18(16-29)31-21-11-13-28-15-22(21)30(26(31)33)17-7-9-19(10-8-17)35-23-6-4-5-20(27)25(23)34-2;1-3-24(32)29-14-12-19(16-29)31-21-11-13-28-15-22(21)30(26(31)33)18-7-9-20(10-8-18)34-23-6-4-5-17(2)25(23)27/h3-11,13,15,19H,1,12,14,16H2,2H3;3-11,13,15,18H,1,12,14,16H2,2H3;3-11,13,15,19H,1,12,14,16H2,2H3.
What are the key properties of 3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?
3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 1407.93 g/mol, XLogP of 13.37, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-2-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(3-fluoro-2-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one;3-[4-(2-fluoro-3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 159443854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).