6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one — IUPAC name, SMILES, InChIKey & properties

Name: 6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one

6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 157179204) has the molecular formula C105H86ClF4N17O5 and a molecular weight of 1777.40 g/mol. Its IUPAC name is 6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name	6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID	157179204
Molecular Formula	C105H86ClF4N17O5
Molecular Weight	1777.40 g/mol
Exact Mass	1775.66
IUPAC Name	6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
SMILES	CN(C)c1ccc(-c2ccc(CN3Cc4cccnc4C3=O)c(Cl)c2)cn1.Cc1cncc(-c2ccc(CN3Cc4cccnc4C3=O)c(F)c2)c1.Cn1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cn1.Cn1cc2ccc(-c3ccc(CN4Cc5cccnc5C4=O)c(F)c3)cc2n1.Cn1ccc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21
InChI	InChI=1S/C24H19FN2O.C22H17FN4O.C21H19ClN4O.C20H16FN3O.C18H15FN4O/c1-26-11-10-16-6-7-18(13-23(16)26)17-8-9-20(22(25)12-17)15-27-14-19-4-2-3-5-21(19)24(27)28;1-26-11-17-7-5-15(10-20(17)25-26)14-4-6-16(19(23)9-14)12-27-13-18-3-2-8-24-21(18)22(27)28;1-25(2)19-8-7-15(11-24-19)14-5-6-16(18(22)10-14)12-26-13-17-4-3-9-23-20(17)21(26)27;1-13-7-17(10-22-9-13)14-4-5-15(18(21)8-14)11-24-12-16-3-2-6-23-19(16)20(24)25;1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-13H,14-15H2,1H3;2-11H,12-13H2,1H3;3-11H,12-13H2,1-2H3;2-10H,11-12H2,1H3;2-9H,10-11H2,1H3
InChIKey	AOJJLXCYQOVBOD-UHFFFAOYSA-N
XLogP	19.61
TPSA	222.70 Å²
H-Bond Donors
H-Bond Acceptors	17
Rotatable Bonds	16
Heavy Atoms	132
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1777.40
LogP ≤ 5	19.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Analyze 6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?

The IUPAC name of 6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one (CID 157179204) is 6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one.

What is the SMILES notation for 6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?

The canonical SMILES for 6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one is CN(C)c1ccc(-c2ccc(CN3Cc4cccnc4C3=O)c(Cl)c2)cn1.Cc1cncc(-c2ccc(CN3Cc4cccnc4C3=O)c(F)c2)c1.Cn1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cn1.Cn1cc2ccc(-c3ccc(CN4Cc5cccnc5C4=O)c(F)c3)cc2n1.Cn1ccc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21.

What is the InChIKey of 6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?

The InChIKey is AOJJLXCYQOVBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O.C22H17FN4O.C21H19ClN4O.C20H16FN3O.C18H15FN4O/c1-26-11-10-16-6-7-18(13-23(16)26)17-8-9-20(22(25)12-17)15-27-14-19-4-2-3-5-21(19)24(27)28;1-26-11-17-7-5-15(10-20(17)25-26)14-4-6-16(19(23)9-14)12-27-13-18-3-2-8-24-21(18)22(27)28;1-25(2)19-8-7-15(11-24-19)14-5-6-16(18(22)10-14)12-26-13-17-4-3-9-23-20(17)21(26)27;1-13-7-17(10-22-9-13)14-4-5-15(18(21)8-14)11-24-12-16-3-2-6-23-19(16)20(24)25;1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-13H,14-15H2,1H3;2-11H,12-13H2,1H3;3-11H,12-13H2,1-2H3;2-10H,11-12H2,1H3;2-9H,10-11H2,1H3.

What are the key properties of 6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?

Where does this data come from?

All data for 6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 157179204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).