6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C129H104Cl3F7N18O10 — CID 173271540

IUPAC6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(CN2Cc3ncccc3C2=O)cc1.Cc1ccc(CN2Cc3ncccc3C2=O)cc1.O=C1c2cccnc2CN1Cc1c(F)cccc1F.O=C1c2cccnc2CN1Cc1ccc(Cl)cc1.O=C1c2cccnc2CN1Cc1ccc(F)cc1.O=C1c2cccnc2CN1Cc1cccc(Cl)c1.O=C1c2cccnc2CN1Cc1ccccc1C(F)(F)F.O=C1c2cccnc2CN1Cc1ccccc1Cl.O=C1c2cccnc2CN1Cc1ccccc1F
InChIInChI=1S/C15H11F3N2O.C15H14N2O2.C15H14N2O.3C14H11ClN2O.C14H10F2N2O.2C14H11FN2O/c16-15(17,18)12-6-2-1-4-10(12)8-20-9-13-11(14(20)21)5-3-7-19-13;1-19-12-6-4-11(5-7-12)9-17-10-14-13(15(17)18)3-2-8-16-14;1-11-4-6-12(7-5-11)9-17-10-14-13(15(17)18)3-2-8-16-14;15-11-4-1-3-10(7-11)8-17-9-13-12(14(17)18)5-2-6-16-13;15-11-5-3-10(4-6-11)8-17-9-13-12(14(17)18)2-1-7-16-13;15-12-6-2-1-4-10(12)8-17-9-13-11(14(17)18)5-3-7-16-13;15-11-4-1-5-12(16)10(11)7-18-8-13-9(14(18)19)3-2-6-17-13;15-11-5-3-10(4-6-11)8-17-9-13-12(14(17)18)2-1-7-16-13;15-12-6-2-1-4-10(12)8-17-9-13-11(14(17)18)5-3-7-16-13/h1-7H,8-9H2;2-8H,9-10H2,1H3;2-8H,9-10H2,1H3;3*1-7H,8-9H2;1-6H,7-8H2;2*1-7H,8-9H2
InChIKeyJSXDLSIQMVZTNV-UHFFFAOYSA-N
MW2305.71 g/mol
LogP23.99
Rot. Bonds19

About 6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 173271540) has the molecular formula C129H104Cl3F7N18O10 and a molecular weight of 2305.71 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID173271540
Molecular FormulaC129H104Cl3F7N18O10
Molecular Weight2305.71 g/mol
Exact Mass2302.71
IUPAC Name6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(CN2Cc3ncccc3C2=O)cc1.Cc1ccc(CN2Cc3ncccc3C2=O)cc1.O=C1c2cccnc2CN1Cc1c(F)cccc1F.O=C1c2cccnc2CN1Cc1ccc(Cl)cc1.O=C1c2cccnc2CN1Cc1ccc(F)cc1.O=C1c2cccnc2CN1Cc1cccc(Cl)c1.O=C1c2cccnc2CN1Cc1ccccc1C(F)(F)F.O=C1c2cccnc2CN1Cc1ccccc1Cl.O=C1c2cccnc2CN1Cc1ccccc1F
InChIInChI=1S/C15H11F3N2O.C15H14N2O2.C15H14N2O.3C14H11ClN2O.C14H10F2N2O.2C14H11FN2O/c16-15(17,18)12-6-2-1-4-10(12)8-20-9-13-11(14(20)21)5-3-7-19-13;1-19-12-6-4-11(5-7-12)9-17-10-14-13(15(17)18)3-2-8-16-14;1-11-4-6-12(7-5-11)9-17-10-14-13(15(17)18)3-2-8-16-14;15-11-4-1-3-10(7-11)8-17-9-13-12(14(17)18)5-2-6-16-13;15-11-5-3-10(4-6-11)8-17-9-13-12(14(17)18)2-1-7-16-13;15-12-6-2-1-4-10(12)8-17-9-13-11(14(17)18)5-3-7-16-13;15-11-4-1-5-12(16)10(11)7-18-8-13-9(14(18)19)3-2-6-17-13;15-11-5-3-10(4-6-11)8-17-9-13-12(14(17)18)2-1-7-16-13;15-12-6-2-1-4-10(12)8-17-9-13-11(14(17)18)5-3-7-16-13/h1-7H,8-9H2;2-8H,9-10H2,1H3;2-8H,9-10H2,1H3;3*1-7H,8-9H2;1-6H,7-8H2;2*1-7H,8-9H2
InChIKeyJSXDLSIQMVZTNV-UHFFFAOYSA-N
XLogP23.99
TPSA308.03 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002305.71
LogP ≤ 523.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 173271540) is 6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is COc1ccc(CN2Cc3ncccc3C2=O)cc1.Cc1ccc(CN2Cc3ncccc3C2=O)cc1.O=C1c2cccnc2CN1Cc1c(F)cccc1F.O=C1c2cccnc2CN1Cc1ccc(Cl)cc1.O=C1c2cccnc2CN1Cc1ccc(F)cc1.O=C1c2cccnc2CN1Cc1cccc(Cl)c1.O=C1c2cccnc2CN1Cc1ccccc1C(F)(F)F.O=C1c2cccnc2CN1Cc1ccccc1Cl.O=C1c2cccnc2CN1Cc1ccccc1F.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is JSXDLSIQMVZTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O.C15H14N2O2.C15H14N2O.3C14H11ClN2O.C14H10F2N2O.2C14H11FN2O/c16-15(17,18)12-6-2-1-4-10(12)8-20-9-13-11(14(20)21)5-3-7-19-13;1-19-12-6-4-11(5-7-12)9-17-10-14-13(15(17)18)3-2-8-16-14;1-11-4-6-12(7-5-11)9-17-10-14-13(15(17)18)3-2-8-16-14;15-11-4-1-3-10(7-11)8-17-9-13-12(14(17)18)5-2-6-16-13;15-11-5-3-10(4-6-11)8-17-9-13-12(14(17)18)2-1-7-16-13;15-12-6-2-1-4-10(12)8-17-9-13-11(14(17)18)5-3-7-16-13;15-11-4-1-5-12(16)10(11)7-18-8-13-9(14(18)19)3-2-6-17-13;15-11-5-3-10(4-6-11)8-17-9-13-12(14(17)18)2-1-7-16-13;15-12-6-2-1-4-10(12)8-17-9-13-11(14(17)18)5-3-7-16-13/h1-7H,8-9H2;2-8H,9-10H2,1H3;2-8H,9-10H2,1H3;3*1-7H,8-9H2;1-6H,7-8H2;2*1-7H,8-9H2.
What are the key properties of 6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 2305.71 g/mol, XLogP of 23.99, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 173271540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).