2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone

C99H105F2N19O4S2 — CID 157462805

IUPAC2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
SMILESCN1CC=C(c2cnc3c(c2)CN(C(=O)Cc2nc(-c4cccs4)ccc2N)C3)CC1.CN1CCC(c2cnc3c(c2)CN(C(=O)Cc2nc(-c4ccc(F)cc4)ccc2N)C3)CC1.CN1CCC(c2cnc3c(c2)CN(C(=O)Cc2nc(-c4cccs4)ccc2N)C3)CC1.Nc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1Cc2cccc(N3CCCC3)c2C1
InChIInChI=1S/C26H28FN5O.C25H25FN4O.C24H27N5OS.C24H25N5OS/c1-31-10-8-17(9-11-31)19-12-20-15-32(16-25(20)29-14-19)26(33)13-24-22(28)6-7-23(30-24)18-2-4-21(27)5-3-18;26-19-8-6-17(7-9-19)22-11-10-21(27)23(28-22)14-25(31)30-15-18-4-3-5-24(20(18)16-30)29-12-1-2-13-29;2*1-28-8-6-16(7-9-28)17-11-18-14-29(15-22(18)26-13-17)24(30)12-21-19(25)4-5-20(27-21)23-3-2-10-31-23/h2-7,12,14,17H,8-11,13,15-16,28H2,1H3;3-11H,1-2,12-16,27H2;2-5,10-11,13,16H,6-9,12,14-15,25H2,1H3;2-6,10-11,13H,7-9,12,14-15,25H2,1H3
InChIKeyBUCZHOVHWPGEJC-UHFFFAOYSA-N
MW1727.19 g/mol
LogP15.19
Rot. Bonds16

About 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone (PubChem CID 157462805) has the molecular formula C99H105F2N19O4S2 and a molecular weight of 1727.19 g/mol. Its IUPAC name is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
PubChem CID157462805
Molecular FormulaC99H105F2N19O4S2
Molecular Weight1727.19 g/mol
Exact Mass1725.80
IUPAC Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
SMILESCN1CC=C(c2cnc3c(c2)CN(C(=O)Cc2nc(-c4cccs4)ccc2N)C3)CC1.CN1CCC(c2cnc3c(c2)CN(C(=O)Cc2nc(-c4ccc(F)cc4)ccc2N)C3)CC1.CN1CCC(c2cnc3c(c2)CN(C(=O)Cc2nc(-c4cccs4)ccc2N)C3)CC1.Nc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1Cc2cccc(N3CCCC3)c2C1
InChIInChI=1S/C26H28FN5O.C25H25FN4O.C24H27N5OS.C24H25N5OS/c1-31-10-8-17(9-11-31)19-12-20-15-32(16-25(20)29-14-19)26(33)13-24-22(28)6-7-23(30-24)18-2-4-21(27)5-3-18;26-19-8-6-17(7-9-19)22-11-10-21(27)23(28-22)14-25(31)30-15-18-4-3-5-24(20(18)16-30)29-12-1-2-13-29;2*1-28-8-6-16(7-9-28)17-11-18-14-29(15-22(18)26-13-17)24(30)12-21-19(25)4-5-20(27-21)23-3-2-10-31-23/h2-7,12,14,17H,8-11,13,15-16,28H2,1H3;3-11H,1-2,12-16,27H2;2-5,10-11,13,16H,6-9,12,14-15,25H2,1H3;2-6,10-11,13H,7-9,12,14-15,25H2,1H3
InChIKeyBUCZHOVHWPGEJC-UHFFFAOYSA-N
XLogP15.19
TPSA288.51 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001727.19
LogP ≤ 515.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone with MolForge

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Related Compounds

2-[4-Amino-1-(4-fluorophenyl)pyrazol-3-yl]-1-[5-[(dimethylamino)methyl]-1,3-dihydroisoindol-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(oxan-4-yl)-1,3-dihydroisoindol-2-yl]ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[5-[(dimethylamino)methyl]-1,3-dihydroisoindol-2-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]ethanone
CID 157370391
2-[3-Amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[5-[(dimethylamino)methyl]-1,3-dihydroisoindol-2-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[5-(pyrrolidin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]ethanone
CID 159613503
2-[3-Amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(azetidin-1-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(pyrrolidin-1-ylmethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)ethanone
CID 157177710
2-(2,6-dioxopiperidin-3-yl)-4-(thiophen-2-ylmethylamino)isoindole-1,3-dione;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione
CID 157610074
2-[(3S)-1-[(1-acetylindol-3-yl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[(3S)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone
CID 157639899
2-pyridin-2-yl-1H-indole-4-carboxamide;2-pyridin-3-yl-1H-indole-4-carboxamide;2-pyridin-4-yl-1H-indole-4-carboxamide;2-thiophen-2-yl-1H-indole-4-carboxamide;2-thiophen-3-yl-1H-indole-4-carboxamide
CID 157821169
3-[benzyl-[(2S)-butan-2-yl]amino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;N-[(5S)-6-ethyl-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[(5R)-6-ethyl-5-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[(7S)-6-ethyl-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;(6S)-6-methyl-1-[(7S)-7-methyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one
CID 158074192
ethane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one
CID 159733540
ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one
CID 159770567
ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;4-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2H-2,6-naphthyridin-1-one;4-propan-2-yl-2H-2,7-naphthyridin-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one
CID 159787623
2-[3-Amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 160943541
ethane;methane;7-propan-2-yl-5H-1-benzothiophen-4-one;3-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-7H-indolizin-8-one;8-propan-2-yl-6H-indolizin-5-one;5-propan-2-yl-7H-isoquinolin-8-one;8-propan-2-yl-6H-isoquinolin-5-one;4-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-7H-quinolin-8-one;8-propan-2-yl-6H-quinolin-5-one;8-propan-2-yl-6H-quinoxalin-5-one;7-propan-2-yl-1,2,3,5-tetrahydroinden-4-one;4-propan-2-yl-5,6,7,8-tetrahydro-2H-naphthalen-1-one
CID 161420987

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
The IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone (CID 157462805) is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone.
What is the SMILES notation for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
The canonical SMILES for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone is CN1CC=C(c2cnc3c(c2)CN(C(=O)Cc2nc(-c4cccs4)ccc2N)C3)CC1.CN1CCC(c2cnc3c(c2)CN(C(=O)Cc2nc(-c4ccc(F)cc4)ccc2N)C3)CC1.CN1CCC(c2cnc3c(c2)CN(C(=O)Cc2nc(-c4cccs4)ccc2N)C3)CC1.Nc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1Cc2cccc(N3CCCC3)c2C1.
What is the InChIKey of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
The InChIKey is BUCZHOVHWPGEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O.C25H25FN4O.C24H27N5OS.C24H25N5OS/c1-31-10-8-17(9-11-31)19-12-20-15-32(16-25(20)29-14-19)26(33)13-24-22(28)6-7-23(30-24)18-2-4-21(27)5-3-18;26-19-8-6-17(7-9-19)22-11-10-21(27)23(28-22)14-25(31)30-15-18-4-3-5-24(20(18)16-30)29-12-1-2-13-29;2*1-28-8-6-16(7-9-28)17-11-18-14-29(15-22(18)26-13-17)24(30)12-21-19(25)4-5-20(27-21)23-3-2-10-31-23/h2-7,12,14,17H,8-11,13,15-16,28H2,1H3;3-11H,1-2,12-16,27H2;2-5,10-11,13,16H,6-9,12,14-15,25H2,1H3;2-6,10-11,13H,7-9,12,14-15,25H2,1H3.
What are the key properties of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone has a molecular weight of 1727.19 g/mol, XLogP of 15.19, 16 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-pyrrolidin-1-yl-1,3-dihydroisoindol-2-yl)ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone is sourced from PubChem (CID 157462805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).