2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide

C110H113FN30O10 — CID 157356796

IUPAC2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
SMILESC=C(Nc1cc(Oc2ccc(-c3cnc(Nc4ccccc4)n(C)c3=O)nc2)ccn1)N1CCCC1.C=C(Nc1cc(Oc2ccc(-c3cnc(Nc4ccccc4)n(C)c3=O)nc2)ccn1)N1CCN(C)CC1.C=C(Nc1cc(Oc2ccc(-c3cnc(Nc4ccccc4)n(C)c3=O)nc2)ccn1)N1CCOCC1.CN(C)[C@@H]1CCN(C(=O)Nc2cc(Oc3ccc(-c4cnc(Nc5ccc(F)cc5)n(C)c4=O)nc3)ccn2)C1
InChIInChI=1S/C28H29FN8O3.C28H30N8O2.C27H27N7O3.C27H27N7O2/c1-35(2)20-11-13-37(17-20)28(39)34-25-14-21(10-12-30-25)40-22-8-9-24(31-15-22)23-16-32-27(36(3)26(23)38)33-19-6-4-18(29)5-7-19;1-20(36-15-13-34(2)14-16-36)32-26-17-22(11-12-29-26)38-23-9-10-25(30-18-23)24-19-31-28(35(3)27(24)37)33-21-7-5-4-6-8-21;1-19(34-12-14-36-15-13-34)31-25-16-21(10-11-28-25)37-22-8-9-24(29-17-22)23-18-30-27(33(2)26(23)35)32-20-6-4-3-5-7-20;1-19(34-14-6-7-15-34)31-25-16-21(12-13-28-25)36-22-10-11-24(29-17-22)23-18-30-27(33(2)26(23)35)32-20-8-4-3-5-9-20/h4-10,12,14-16,20H,11,13,17H2,1-3H3,(H,32,33)(H,30,34,39);4-12,17-19H,1,13-16H2,2-3H3,(H,29,32)(H,31,33);3-11,16-18H,1,12-15H2,2H3,(H,28,31)(H,30,32);3-5,8-13,16-18H,1,6-7,14-15H2,2H3,(H,28,31)(H,30,32)/t20-;;;/m1.../s1
InChIKeyBIEHPAQIBUSHAQ-BOPOOPDGSA-N
MW2034.31 g/mol
LogP16.72
Rot. Bonds31

About 2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide

2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 157356796) has the molecular formula C110H113FN30O10 and a molecular weight of 2034.31 g/mol. Its IUPAC name is 2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
PubChem CID157356796
Molecular FormulaC110H113FN30O10
Molecular Weight2034.31 g/mol
Exact Mass2032.92
IUPAC Name2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
SMILESC=C(Nc1cc(Oc2ccc(-c3cnc(Nc4ccccc4)n(C)c3=O)nc2)ccn1)N1CCCC1.C=C(Nc1cc(Oc2ccc(-c3cnc(Nc4ccccc4)n(C)c3=O)nc2)ccn1)N1CCN(C)CC1.C=C(Nc1cc(Oc2ccc(-c3cnc(Nc4ccccc4)n(C)c3=O)nc2)ccn1)N1CCOCC1.CN(C)[C@@H]1CCN(C(=O)Nc2cc(Oc3ccc(-c4cnc(Nc5ccc(F)cc5)n(C)c4=O)nc3)ccn2)C1
InChIInChI=1S/C28H29FN8O3.C28H30N8O2.C27H27N7O3.C27H27N7O2/c1-35(2)20-11-13-37(17-20)28(39)34-25-14-21(10-12-30-25)40-22-8-9-24(31-15-22)23-16-32-27(36(3)26(23)38)33-19-6-4-18(29)5-7-19;1-20(36-15-13-34(2)14-16-36)32-26-17-22(11-12-29-26)38-23-9-10-25(30-18-23)24-19-31-28(35(3)27(24)37)33-21-7-5-4-6-8-21;1-19(34-12-14-36-15-13-34)31-25-16-21(10-11-28-25)37-22-8-9-24(29-17-22)23-18-30-27(33(2)26(23)35)32-20-6-4-3-5-7-20;1-19(34-14-6-7-15-34)31-25-16-21(12-13-28-25)36-22-10-11-24(29-17-22)23-18-30-27(33(2)26(23)35)32-20-8-4-3-5-9-20/h4-10,12,14-16,20H,11,13,17H2,1-3H3,(H,32,33)(H,30,34,39);4-12,17-19H,1,13-16H2,2-3H3,(H,29,32)(H,31,33);3-11,16-18H,1,12-15H2,2H3,(H,28,31)(H,30,32);3-5,8-13,16-18H,1,6-7,14-15H2,2H3,(H,28,31)(H,30,32)/t20-;;;/m1.../s1
InChIKeyBIEHPAQIBUSHAQ-BOPOOPDGSA-N
XLogP16.72
TPSA421.58 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds31
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002034.31
LogP ≤ 516.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Analyze 2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide 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

US20230339891, Example 93
CID 169490150
N-[4-[[6-[2-(2-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 59218355
N-[4-[[6-[2-(3-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 59218358
N-[4-[[6-[2-(3-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carbothioamide
CID 59218364
(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 59218372
N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 59218379
N-[4-[[6-[2-(2-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carbothioamide
CID 59218384
5-[5-[(2-Amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one
CID 68691031
3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 68691671
5-[5-[(3,3-Dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-8-yl)oxy]-2-pyridinyl]-2-(4-fluoroanilino)-3-methylpyrimidin-4-one
CID 72945645
8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 72948007
5-[5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]-2-(4-fluoroanilino)-3-methylpyrimidin-4-one
CID 72948008

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide (CID 157356796) is 2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide is C=C(Nc1cc(Oc2ccc(-c3cnc(Nc4ccccc4)n(C)c3=O)nc2)ccn1)N1CCCC1.C=C(Nc1cc(Oc2ccc(-c3cnc(Nc4ccccc4)n(C)c3=O)nc2)ccn1)N1CCN(C)CC1.C=C(Nc1cc(Oc2ccc(-c3cnc(Nc4ccccc4)n(C)c3=O)nc2)ccn1)N1CCOCC1.CN(C)[C@@H]1CCN(C(=O)Nc2cc(Oc3ccc(-c4cnc(Nc5ccc(F)cc5)n(C)c4=O)nc3)ccn2)C1.
What is the InChIKey of 2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide?
The InChIKey is BIEHPAQIBUSHAQ-BOPOOPDGSA-N. The full InChI is InChI=1S/C28H29FN8O3.C28H30N8O2.C27H27N7O3.C27H27N7O2/c1-35(2)20-11-13-37(17-20)28(39)34-25-14-21(10-12-30-25)40-22-8-9-24(31-15-22)23-16-32-27(36(3)26(23)38)33-19-6-4-18(29)5-7-19;1-20(36-15-13-34(2)14-16-36)32-26-17-22(11-12-29-26)38-23-9-10-25(30-18-23)24-19-31-28(35(3)27(24)37)33-21-7-5-4-6-8-21;1-19(34-12-14-36-15-13-34)31-25-16-21(10-11-28-25)37-22-8-9-24(29-17-22)23-18-30-27(33(2)26(23)35)32-20-6-4-3-5-7-20;1-19(34-14-6-7-15-34)31-25-16-21(12-13-28-25)36-22-10-11-24(29-17-22)23-18-30-27(33(2)26(23)35)32-20-8-4-3-5-9-20/h4-10,12,14-16,20H,11,13,17H2,1-3H3,(H,32,33)(H,30,34,39);4-12,17-19H,1,13-16H2,2-3H3,(H,29,32)(H,31,33);3-11,16-18H,1,12-15H2,2H3,(H,28,31)(H,30,32);3-5,8-13,16-18H,1,6-7,14-15H2,2H3,(H,28,31)(H,30,32)/t20-;;;/m1.../s1.
What are the key properties of 2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide?
2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 2034.31 g/mol, XLogP of 16.72, 31 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-methyl-5-[5-[[2-[1-(4-methylpiperazin-1-yl)ethenylamino]-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-morpholin-4-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;2-anilino-3-methyl-5-[5-[[2-(1-pyrrolidin-1-ylethenylamino)-4-pyridinyl]oxy]-2-pyridinyl]pyrimidin-4-one;(3R)-3-(dimethylamino)-N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 157356796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).