6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide

C124H121Cl10F2N29O22 — CID 161381707

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
SMILESC=CC(=O)CC1CC(=O)CC1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)CC1CC(F)(F)CC1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)N[C@@H]1CN(c2ccn[nH]2)C[C@@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)N[C@H]1CN(c2ccn[nH]2)C[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)[nH]c2n1
InChIInChI=1S/2C26H26Cl2N8O4.C25H24Cl2F2N4O4.C25H24Cl2N4O5.C22H21Cl2N5O5/c2*1-5-20(37)31-15-11-36(19-6-7-30-34-19)12-16(15)32-26-29-10-13-8-14(25(38)35(2)24(13)33-26)21-22(27)17(39-3)9-18(40-4)23(21)28;1-5-14(34)6-12-9-25(28,29)10-16(12)31-24-30-11-13-7-15(23(35)33(2)22(13)32-24)19-20(26)17(36-3)8-18(37-4)21(19)27;1-5-14(32)6-12-7-15(33)9-17(12)29-25-28-11-13-8-16(24(34)31(2)23(13)30-25)20-21(26)18(35-3)10-19(36-4)22(20)27;1-4-16(30)26-12-8-34-9-13(12)27-22-25-7-10-5-11(21(31)28-20(10)29-22)17-18(23)14(32-2)6-15(33-3)19(17)24/h2*5-10,15-16H,1,11-12H2,2-4H3,(H,30,34)(H,31,37)(H,29,32,33);5,7-8,11-12,16H,1,6,9-10H2,2-4H3,(H,30,31,32);5,8,10-12,17H,1,6-7,9H2,2-4H3,(H,28,29,30);4-7,12-13H,1,8-9H2,2-3H3,(H,26,30)(H2,25,27,28,29,31)/t2*15-,16+;;;12-,13+/m10..0/s1
InChIKeyVRUQEOYQCKDANR-MJBCRKDCSA-N
MW2762.04 g/mol
LogP18.33
Rot. Bonds39

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide

6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide (PubChem CID 161381707) has the molecular formula C124H121Cl10F2N29O22 and a molecular weight of 2762.04 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
PubChem CID161381707
Molecular FormulaC124H121Cl10F2N29O22
Molecular Weight2762.04 g/mol
Exact Mass2755.61
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
SMILESC=CC(=O)CC1CC(=O)CC1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)CC1CC(F)(F)CC1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)N[C@@H]1CN(c2ccn[nH]2)C[C@@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)N[C@H]1CN(c2ccn[nH]2)C[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)[nH]c2n1
InChIInChI=1S/2C26H26Cl2N8O4.C25H24Cl2F2N4O4.C25H24Cl2N4O5.C22H21Cl2N5O5/c2*1-5-20(37)31-15-11-36(19-6-7-30-34-19)12-16(15)32-26-29-10-13-8-14(25(38)35(2)24(13)33-26)21-22(27)17(39-3)9-18(40-4)23(21)28;1-5-14(34)6-12-9-25(28,29)10-16(12)31-24-30-11-13-7-15(23(35)33(2)22(13)32-24)19-20(26)17(36-3)8-18(37-4)21(19)27;1-5-14(32)6-12-7-15(33)9-17(12)29-25-28-11-13-8-16(24(34)31(2)23(13)30-25)20-21(26)18(35-3)10-19(36-4)22(20)27;1-4-16(30)26-12-8-34-9-13(12)27-22-25-7-10-5-11(21(31)28-20(10)29-22)17-18(23)14(32-2)6-15(33-3)19(17)24/h2*5-10,15-16H,1,11-12H2,2-4H3,(H,30,34)(H,31,37)(H,29,32,33);5,7-8,11-12,16H,1,6,9-10H2,2-4H3,(H,30,31,32);5,8,10-12,17H,1,6-7,9H2,2-4H3,(H,28,29,30);4-7,12-13H,1,8-9H2,2-3H3,(H,26,30)(H2,25,27,28,29,31)/t2*15-,16+;;;12-,13+/m10..0/s1
InChIKeyVRUQEOYQCKDANR-MJBCRKDCSA-N
XLogP18.33
TPSA613.79 Ų
H-Bond Donors11
H-Bond Acceptors45
Rotatable Bonds39
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002762.04
LogP ≤ 518.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide (CID 161381707) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide is C=CC(=O)CC1CC(=O)CC1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)CC1CC(F)(F)CC1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)N[C@@H]1CN(c2ccn[nH]2)C[C@@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)N[C@H]1CN(c2ccn[nH]2)C[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)[nH]c2n1.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide?
The InChIKey is VRUQEOYQCKDANR-MJBCRKDCSA-N. The full InChI is InChI=1S/2C26H26Cl2N8O4.C25H24Cl2F2N4O4.C25H24Cl2N4O5.C22H21Cl2N5O5/c2*1-5-20(37)31-15-11-36(19-6-7-30-34-19)12-16(15)32-26-29-10-13-8-14(25(38)35(2)24(13)33-26)21-22(27)17(39-3)9-18(40-4)23(21)28;1-5-14(34)6-12-9-25(28,29)10-16(12)31-24-30-11-13-7-15(23(35)33(2)22(13)32-24)19-20(26)17(36-3)8-18(37-4)21(19)27;1-5-14(32)6-12-7-15(33)9-17(12)29-25-28-11-13-8-16(24(34)31(2)23(13)30-25)20-21(26)18(35-3)10-19(36-4)22(20)27;1-4-16(30)26-12-8-34-9-13(12)27-22-25-7-10-5-11(21(31)28-20(10)29-22)17-18(23)14(32-2)6-15(33-3)19(17)24/h2*5-10,15-16H,1,11-12H2,2-4H3,(H,30,34)(H,31,37)(H,29,32,33);5,7-8,11-12,16H,1,6,9-10H2,2-4H3,(H,30,31,32);5,8,10-12,17H,1,6-7,9H2,2-4H3,(H,28,29,30);4-7,12-13H,1,8-9H2,2-3H3,(H,26,30)(H2,25,27,28,29,31)/t2*15-,16+;;;12-,13+/m10..0/s1.
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide has a molecular weight of 2762.04 g/mol, XLogP of 18.33, 39 rotatable bonds, 11 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[4,4-difluoro-2-(2-oxobut-3-enyl)cyclopentyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[[4-oxo-2-(2-oxobut-3-enyl)cyclopentyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide is sourced from PubChem (CID 161381707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).