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

C118H115F4N29O5S — CID 161203611

IUPAC6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;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
SMILESCC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cccnc2C2CC2)c1=O.CC1=C(c2cc3cnc(Nc4ccc(N5CCNCC5)c(F)c4)nc3n(Cc3cnccc3C3CC3)c2=O)N=CC1.Cc1ccsc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cnccc2C2CC2)c1=O.N#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ccccc2C2CC2)c1=O
InChIInChI=1S/C31H31FN8O.C31H30FN7OS.C28H28FN7O2.C28H26FN7O/c1-19-6-9-35-28(19)25-14-21-17-36-31(37-23-4-5-27(26(32)15-23)39-12-10-33-11-13-39)38-29(21)40(30(25)41)18-22-16-34-8-7-24(22)20-2-3-20;1-19-7-13-41-28(19)25-14-21-17-35-31(36-23-4-5-27(26(32)15-23)38-11-9-33-10-12-38)37-29(21)39(30(25)40)18-22-16-34-8-6-24(22)20-2-3-20;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;29-24-14-22(7-8-25(24)35-11-9-31-10-12-35)33-28-32-16-21-13-20(15-30)27(37)36(26(21)34-28)17-19-3-1-2-4-23(19)18-5-6-18/h4-5,7-9,14-17,20,33H,2-3,6,10-13,18H2,1H3,(H,36,37,38);4-8,13-17,20,33H,2-3,9-12,18H2,1H3,(H,35,36,37);2-3,6-8,13-15,18,30H,4-5,9-12,16H2,1H3,(H,32,33,34);1-4,7-8,13-14,16,18,31H,5-6,9-12,17H2,(H,32,33,34)
InChIKeyUVHREYZGUAXPCH-UHFFFAOYSA-N
MW2127.47 g/mol
LogP17.54
Rot. Bonds27

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

6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;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 (PubChem CID 161203611) has the molecular formula C118H115F4N29O5S and a molecular weight of 2127.47 g/mol. Its IUPAC name is 6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;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.

Molecular Properties

Compound Name6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;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
PubChem CID161203611
Molecular FormulaC118H115F4N29O5S
Molecular Weight2127.47 g/mol
Exact Mass2125.93
IUPAC Name6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;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
SMILESCC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cccnc2C2CC2)c1=O.CC1=C(c2cc3cnc(Nc4ccc(N5CCNCC5)c(F)c4)nc3n(Cc3cnccc3C3CC3)c2=O)N=CC1.Cc1ccsc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cnccc2C2CC2)c1=O.N#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ccccc2C2CC2)c1=O
InChIInChI=1S/C31H31FN8O.C31H30FN7OS.C28H28FN7O2.C28H26FN7O/c1-19-6-9-35-28(19)25-14-21-17-36-31(37-23-4-5-27(26(32)15-23)39-12-10-33-11-13-39)38-29(21)40(30(25)41)18-22-16-34-8-7-24(22)20-2-3-20;1-19-7-13-41-28(19)25-14-21-17-35-31(36-23-4-5-27(26(32)15-23)38-11-9-33-10-12-38)37-29(21)39(30(25)40)18-22-16-34-8-6-24(22)20-2-3-20;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;29-24-14-22(7-8-25(24)35-11-9-31-10-12-35)33-28-32-16-21-13-20(15-30)27(37)36(26(21)34-28)17-19-3-1-2-4-23(19)18-5-6-18/h4-5,7-9,14-17,20,33H,2-3,6,10-13,18H2,1H3,(H,36,37,38);4-8,13-17,20,33H,2-3,9-12,18H2,1H3,(H,35,36,37);2-3,6-8,13-15,18,30H,4-5,9-12,16H2,1H3,(H,32,33,34);1-4,7-8,13-14,16,18,31H,5-6,9-12,17H2,(H,32,33,34)
InChIKeyUVHREYZGUAXPCH-UHFFFAOYSA-N
XLogP17.54
TPSA392.21 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds27
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002127.47
LogP ≤ 517.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-(cyclopropylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]propanamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]thiophene-2-carboxamide
CID 158611135
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
8-(cyclopropylmethyl)-6-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-8-ethyl-6-[2-(1,3-thiazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-propan-2-yl-6-[4-(3H-pyrrol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 158969635
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
6-(5-Cyclopropylthiophen-2-yl)-8-ethyl-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one
CID 157110113
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

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;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?
The IUPAC name of 6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;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 161203611) is 6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;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.
What is the SMILES notation for 6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;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?
The canonical SMILES for 6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;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 is CC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cccnc2C2CC2)c1=O.CC1=C(c2cc3cnc(Nc4ccc(N5CCNCC5)c(F)c4)nc3n(Cc3cnccc3C3CC3)c2=O)N=CC1.Cc1ccsc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2cnccc2C2CC2)c1=O.N#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ccccc2C2CC2)c1=O.
What is the InChIKey of 6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;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?
The InChIKey is UVHREYZGUAXPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN8O.C31H30FN7OS.C28H28FN7O2.C28H26FN7O/c1-19-6-9-35-28(19)25-14-21-17-36-31(37-23-4-5-27(26(32)15-23)39-12-10-33-11-13-39)38-29(21)40(30(25)41)18-22-16-34-8-7-24(22)20-2-3-20;1-19-7-13-41-28(19)25-14-21-17-35-31(36-23-4-5-27(26(32)15-23)38-11-9-33-10-12-38)37-29(21)39(30(25)40)18-22-16-34-8-6-24(22)20-2-3-20;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;29-24-14-22(7-8-25(24)35-11-9-31-10-12-35)33-28-32-16-21-13-20(15-30)27(37)36(26(21)34-28)17-19-3-1-2-4-23(19)18-5-6-18/h4-5,7-9,14-17,20,33H,2-3,6,10-13,18H2,1H3,(H,36,37,38);4-8,13-17,20,33H,2-3,9-12,18H2,1H3,(H,35,36,37);2-3,6-8,13-15,18,30H,4-5,9-12,16H2,1H3,(H,32,33,34);1-4,7-8,13-14,16,18,31H,5-6,9-12,17H2,(H,32,33,34).
What are the key properties of 6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;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?
6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;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 has a molecular weight of 2127.47 g/mol, XLogP of 17.54, 27 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-[(2-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopropylphenyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(4-cyclopropyl-3-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(4-methyl-3H-pyrrol-5-yl)pyrido[2,3-d]pyrimidin-7-one;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 is sourced from PubChem (CID 161203611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).