[4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

C143H105N21O6 — CID 161117467

IUPAC[4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)c1c[nH]c2ncnc(Nc3ccc(C4CCCCC4)cc3)c12.O=C(c1cccc2ccccc12)c1c[nH]c2ncnc(Cc3ccc4c(c3)Cc3ccccc3-4)c12.O=C(c1cccc2ccccc12)c1c[nH]c2ncnc(Nc3ccc4cn[nH]c4c3)c12.O=C(c1cccc2ccccc12)c1c[nH]c2ncnc(Nc3cccc(-c4ccccc4)c3)c12.O=C(c1cccc2ccccc12)c1c[nH]c2ncnc(Nc3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C31H21N3O.C30H22N4O2.C29H20N4O.C29H26N4O.C24H16N6O/c35-30(26-11-5-8-20-6-1-3-9-23(20)26)27-17-32-31-29(27)28(33-18-34-31)15-19-12-13-25-22(14-19)16-21-7-2-4-10-24(21)25;35-28(25-15-6-11-21-10-4-5-14-24(21)25)26-17-31-29-27(26)30(33-19-32-29)34-22-12-7-13-23(16-22)36-18-20-8-2-1-3-9-20;34-27(24-15-7-11-20-10-4-5-14-23(20)24)25-17-30-28-26(25)29(32-18-31-28)33-22-13-6-12-21(16-22)19-8-2-1-3-9-19;34-27(23-11-10-20-8-4-5-9-22(20)16-23)25-17-30-28-26(25)29(32-18-31-28)33-24-14-12-21(13-15-24)19-6-2-1-3-7-19;31-22(18-7-3-5-14-4-1-2-6-17(14)18)19-12-25-23-21(19)24(27-13-26-23)29-16-9-8-15-11-28-30-20(15)10-16/h1-14,17-18H,15-16H2,(H,32,33,34);1-17,19H,18H2,(H2,31,32,33,34);1-18H,(H2,30,31,32,33);4-5,8-19H,1-3,6-7H2,(H2,30,31,32,33);1-13H,(H,28,30)(H2,25,26,27,29)
InChIKeyUKMTXEKVROQWRB-UHFFFAOYSA-N
MW2213.55 g/mol
LogP32.02
Rot. Bonds25

About [4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

[4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 161117467) has the molecular formula C143H105N21O6 and a molecular weight of 2213.55 g/mol. Its IUPAC name is [4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
PubChem CID161117467
Molecular FormulaC143H105N21O6
Molecular Weight2213.55 g/mol
Exact Mass2211.86
IUPAC Name[4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)c1c[nH]c2ncnc(Nc3ccc(C4CCCCC4)cc3)c12.O=C(c1cccc2ccccc12)c1c[nH]c2ncnc(Cc3ccc4c(c3)Cc3ccccc3-4)c12.O=C(c1cccc2ccccc12)c1c[nH]c2ncnc(Nc3ccc4cn[nH]c4c3)c12.O=C(c1cccc2ccccc12)c1c[nH]c2ncnc(Nc3cccc(-c4ccccc4)c3)c12.O=C(c1cccc2ccccc12)c1c[nH]c2ncnc(Nc3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C31H21N3O.C30H22N4O2.C29H20N4O.C29H26N4O.C24H16N6O/c35-30(26-11-5-8-20-6-1-3-9-23(20)26)27-17-32-31-29(27)28(33-18-34-31)15-19-12-13-25-22(14-19)16-21-7-2-4-10-24(21)25;35-28(25-15-6-11-21-10-4-5-14-24(21)25)26-17-31-29-27(26)30(33-19-32-29)34-22-12-7-13-23(16-22)36-18-20-8-2-1-3-9-20;34-27(24-15-7-11-20-10-4-5-14-23(20)24)25-17-30-28-26(25)29(32-18-31-28)33-22-13-6-12-21(16-22)19-8-2-1-3-9-19;34-27(23-11-10-20-8-4-5-9-22(20)16-23)25-17-30-28-26(25)29(32-18-31-28)33-24-14-12-21(13-15-24)19-6-2-1-3-7-19;31-22(18-7-3-5-14-4-1-2-6-17(14)18)19-12-25-23-21(19)24(27-13-26-23)29-16-9-8-15-11-28-30-20(15)10-16/h1-14,17-18H,15-16H2,(H,32,33,34);1-17,19H,18H2,(H2,31,32,33,34);1-18H,(H2,30,31,32,33);4-5,8-19H,1-3,6-7H2,(H2,30,31,32,33);1-13H,(H,28,30)(H2,25,26,27,29)
InChIKeyUKMTXEKVROQWRB-UHFFFAOYSA-N
XLogP32.02
TPSA379.23 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002213.55
LogP ≤ 532.02
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze [4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentyl-N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 159296073
5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145034575
4-[6-[[3-[1-methyl-4-[6-[[7-[(6S)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-3-oxo-1,2-dihydroisoindol-4-yl]amino]-3-pyridinyl]piperazin-2-yl]phenyl]methoxy]-1H-indol-3-yl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156166898
1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
CID 157103291
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone
CID 157135685
24-[5-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-pyren-1-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 157217790
N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-[(6-methoxy-3-pyridinyl)oxy]pyrimidin-4-yl]amino]phenyl]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(2-methylindazol-5-yl)pyrimidin-4-yl]amino]phenyl]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-methyl-3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]benzamide;N-[4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]cyclohexyl]-2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetamide;(E)-5-(dimethylamino)-1-[4-[2-[4-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]phenyl]pent-3-en-2-one
CID 157257836
5,12-diphenyl-3-(4-pyrimidin-2-ylphenyl)-12H-indeno[1,2-c]carbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-3-[3-(4-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 157262759
8-[3-[(3R)-3-aminopyrrolidin-1-yl]propyl]-11-(4-hydroxyphenyl)-16-methyl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-9-one;16-cyclopenta-1,3-dien-1-yl-11-(4-hydroxyphenyl)-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8-(2-piperazin-1-ylethyl)-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-5-(3-piperidin-1-ylpropoxy)-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one
CID 157356510
3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethyl-2H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157370262
3-(3-Carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole;2-(3-carbazol-9-yldibenzofuran-4-yl)-9-(2-methyl-1,8-naphthyridin-4-yl)carbazole;2-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole
CID 157466053
5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;7-(furan-3-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 157526888

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The IUPAC name of [4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone (CID 161117467) is [4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone.
What is the SMILES notation for [4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The canonical SMILES for [4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone is O=C(c1ccc2ccccc2c1)c1c[nH]c2ncnc(Nc3ccc(C4CCCCC4)cc3)c12.O=C(c1cccc2ccccc12)c1c[nH]c2ncnc(Cc3ccc4c(c3)Cc3ccccc3-4)c12.O=C(c1cccc2ccccc12)c1c[nH]c2ncnc(Nc3ccc4cn[nH]c4c3)c12.O=C(c1cccc2ccccc12)c1c[nH]c2ncnc(Nc3cccc(-c4ccccc4)c3)c12.O=C(c1cccc2ccccc12)c1c[nH]c2ncnc(Nc3cccc(OCc4ccccc4)c3)c12.
What is the InChIKey of [4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The InChIKey is UKMTXEKVROQWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O.C30H22N4O2.C29H20N4O.C29H26N4O.C24H16N6O/c35-30(26-11-5-8-20-6-1-3-9-23(20)26)27-17-32-31-29(27)28(33-18-34-31)15-19-12-13-25-22(14-19)16-21-7-2-4-10-24(21)25;35-28(25-15-6-11-21-10-4-5-14-24(21)25)26-17-31-29-27(26)30(33-19-32-29)34-22-12-7-13-23(16-22)36-18-20-8-2-1-3-9-20;34-27(24-15-7-11-20-10-4-5-14-23(20)24)25-17-30-28-26(25)29(32-18-31-28)33-22-13-6-12-21(16-22)19-8-2-1-3-9-19;34-27(23-11-10-20-8-4-5-9-22(20)16-23)25-17-30-28-26(25)29(32-18-31-28)33-24-14-12-21(13-15-24)19-6-2-1-3-7-19;31-22(18-7-3-5-14-4-1-2-6-17(14)18)19-12-25-23-21(19)24(27-13-26-23)29-16-9-8-15-11-28-30-20(15)10-16/h1-14,17-18H,15-16H2,(H,32,33,34);1-17,19H,18H2,(H2,31,32,33,34);1-18H,(H2,30,31,32,33);4-5,8-19H,1-3,6-7H2,(H2,30,31,32,33);1-13H,(H,28,30)(H2,25,26,27,29).
What are the key properties of [4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
[4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 2213.55 g/mol, XLogP of 32.02, 25 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 161117467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).