bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one

C143H140F5N35O8S — CID 162219037

IUPACbis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ccccc2C2CC2)c1=O.CC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ccccc2C2CC2)c1=O.CC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cccnc2C2CC2)c1=O.Cc1ccsc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cncnc2C2CC2)c1=O.N#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cccnc2C2CC2)c1=O
InChIInChI=1S/C30H29FN8OS.2C29H29FN6O2.C28H28FN7O2.C27H25FN8O/c1-18-6-11-41-27(18)23-12-20-15-34-30(36-22-4-5-25(24(31)13-22)38-9-7-32-8-10-38)37-28(20)39(29(23)40)16-21-14-33-17-35-26(21)19-2-3-19;2*1-18(37)24-14-21-16-32-29(33-22-8-9-26(25(30)15-22)35-12-10-31-11-13-35)34-27(21)36(28(24)38)17-20-4-2-3-5-23(20)19-6-7-19;1-17(37)22-13-20-15-32-28(33-21-6-7-24(23(29)14-21)35-11-9-30-10-12-35)34-26(20)36(27(22)38)16-19-3-2-8-31-25(19)18-4-5-18;28-22-13-21(5-6-23(22)35-10-8-30-9-11-35)33-27-32-15-20-12-19(14-29)26(37)36(25(20)34-27)16-18-2-1-7-31-24(18)17-3-4-17/h4-6,11-15,17,19,32H,2-3,7-10,16H2,1H3,(H,34,36,37);2*2-5,8-9,14-16,19,31H,6-7,10-13,17H2,1H3,(H,32,33,34);2-3,6-8,13-15,18,30H,4-5,9-12,16H2,1H3,(H,32,33,34);1-2,5-7,12-13,15,17,30H,3-4,8-11,16H2,(H,32,33,34)
InChIKeyZTWHIHYITQVTJT-UHFFFAOYSA-N
MW2603.99 g/mol
LogP20.14
Rot. Bonds34

About bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one

bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 162219037) has the molecular formula C143H140F5N35O8S and a molecular weight of 2603.99 g/mol. Its IUPAC name is bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Namebis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID162219037
Molecular FormulaC143H140F5N35O8S
Molecular Weight2603.99 g/mol
Exact Mass2602.13
IUPAC Namebis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ccccc2C2CC2)c1=O.CC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ccccc2C2CC2)c1=O.CC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cccnc2C2CC2)c1=O.Cc1ccsc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cncnc2C2CC2)c1=O.N#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cccnc2C2CC2)c1=O
InChIInChI=1S/C30H29FN8OS.2C29H29FN6O2.C28H28FN7O2.C27H25FN8O/c1-18-6-11-41-27(18)23-12-20-15-34-30(36-22-4-5-25(24(31)13-22)38-9-7-32-8-10-38)37-28(20)39(29(23)40)16-21-14-33-17-35-26(21)19-2-3-19;2*1-18(37)24-14-21-16-32-29(33-22-8-9-26(25(30)15-22)35-12-10-31-11-13-35)34-27(21)36(28(24)38)17-20-4-2-3-5-23(20)19-6-7-19;1-17(37)22-13-20-15-32-28(33-21-6-7-24(23(29)14-21)35-11-9-30-10-12-35)34-26(20)36(27(22)38)16-19-3-2-8-31-25(19)18-4-5-18;28-22-13-21(5-6-23(22)35-10-8-30-9-11-35)33-27-32-15-20-12-19(14-29)26(37)36(25(20)34-27)16-18-2-1-7-31-24(18)17-3-4-17/h4-6,11-15,17,19,32H,2-3,7-10,16H2,1H3,(H,34,36,37);2*2-5,8-9,14-16,19,31H,6-7,10-13,17H2,1H3,(H,32,33,34);2-3,6-8,13-15,18,30H,4-5,9-12,16H2,1H3,(H,32,33,34);1-2,5-7,12-13,15,17,30H,3-4,8-11,16H2,(H,32,33,34)
InChIKeyZTWHIHYITQVTJT-UHFFFAOYSA-N
XLogP20.14
TPSA501.96 Ų
H-Bond Donors10
H-Bond Acceptors44
Rotatable Bonds34
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002603.99
LogP ≤ 520.14
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-[(4-Cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 89631509
8-[(4-Cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 89631513
8-[(3-Cyclopropyl-4-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 89631515
8-[(3-Cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 89631518
6-[5-(Cyclopropyl-methylidene-oxo-lambda6-sulfanyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methyl(methylidene)-lambda4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 157212377
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 158910888
N-(2-acetamido-5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-8-yl)-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide;N-(2-amino-5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-8-yl)-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide;N-[2-(cyclopropylamino)-5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-8-yl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide;8-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]-2,5,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 159467966
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
CID 160817490
8-[(2-Cyclopropyl-6-fluorophenyl)methyl]-6-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-6-fluorophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-6-fluorophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-morpholin-4-ylphenyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
CID 157275491
1-[4-[2-[[4-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]phenyl]methyl]pyrimidin-4-yl]phenyl]propan-2-one;N-[4-[2-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;1-[4-[2-[[4-[4-(thiophene-3-carbonyl)piperazin-1-yl]phenyl]methyl]pyrimidin-4-yl]phenyl]propan-2-one
CID 158119688
8-[(2-Cyclopropyl-6-fluorophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(3-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-methylphenyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
CID 158182793
8-ethyl-6-[5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-naphthalen-1-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;N-[5-[4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-pyridinyl]acetamide;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 158246602

Frequently Asked Questions

What is the IUPAC name of bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 162219037) is bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ccccc2C2CC2)c1=O.CC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ccccc2C2CC2)c1=O.CC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cccnc2C2CC2)c1=O.Cc1ccsc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cncnc2C2CC2)c1=O.N#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cccnc2C2CC2)c1=O.
What is the InChIKey of bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZTWHIHYITQVTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN8OS.2C29H29FN6O2.C28H28FN7O2.C27H25FN8O/c1-18-6-11-41-27(18)23-12-20-15-34-30(36-22-4-5-25(24(31)13-22)38-9-7-32-8-10-38)37-28(20)39(29(23)40)16-21-14-33-17-35-26(21)19-2-3-19;2*1-18(37)24-14-21-16-32-29(33-22-8-9-26(25(30)15-22)35-12-10-31-11-13-35)34-27(21)36(28(24)38)17-20-4-2-3-5-23(20)19-6-7-19;1-17(37)22-13-20-15-32-28(33-21-6-7-24(23(29)14-21)35-11-9-30-10-12-35)34-26(20)36(27(22)38)16-19-3-2-8-31-25(19)18-4-5-18;28-22-13-21(5-6-23(22)35-10-8-30-9-11-35)33-27-32-15-20-12-19(14-29)26(37)36(25(20)34-27)16-18-2-1-7-31-24(18)17-3-4-17/h4-6,11-15,17,19,32H,2-3,7-10,16H2,1H3,(H,34,36,37);2*2-5,8-9,14-16,19,31H,6-7,10-13,17H2,1H3,(H,32,33,34);2-3,6-8,13-15,18,30H,4-5,9-12,16H2,1H3,(H,32,33,34);1-2,5-7,12-13,15,17,30H,3-4,8-11,16H2,(H,32,33,34).
What are the key properties of bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one?
bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2603.99 g/mol, XLogP of 20.14, 34 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-acetyl-8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one);6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropylpyrimidin-5-yl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 162219037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).