7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one)

C98H100Cl3F4N27O6 — CID 159035472

IUPAC7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one)
SMILESC=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)nc4c(ncn4C)c3C(C)C)c3nc(-c4c(N)cccc4F)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)nc4c(ncn4C)c3C(C)C)c3nc(-c4c(N)cccc4F)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(F)nc4c(ncn4C)c3C3CC3)c3nc(-c4c(N)cccc4F)c(Cl)cc23)C[C@H]1C
InChIInChI=1S/2C33H35ClFN9O2.C32H30ClF2N9O2/c2*1-8-24(45)42-13-18(5)43(14-17(42)4)30-20-12-21(34)27(26-22(35)10-9-11-23(26)36)39-31(20)44(33(46)40-30)29-19(6)38-32-28(25(29)16(2)3)37-15-41(32)7;1-5-22(45)42-12-16(3)43(13-15(42)2)29-18-11-19(33)25(24-20(34)7-6-8-21(24)36)38-30(18)44(32(46)40-29)27-23(17-9-10-17)26-31(39-28(27)35)41(4)14-37-26/h2*8-12,15-18H,1,13-14,36H2,2-7H3;5-8,11,14-17H,1,9-10,12-13,36H2,2-4H3/t2*17-,18+;15-,16+/m111/s1
InChIKeyJVKCTLMMAKKNFA-DEBNLFHBSA-N
MW1934.41 g/mol
LogP15.03
Rot. Bonds15

About 7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one)

7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one) (PubChem CID 159035472) has the molecular formula C98H100Cl3F4N27O6 and a molecular weight of 1934.41 g/mol. Its IUPAC name is 7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one).

Molecular Properties

Compound Name7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one)
PubChem CID159035472
Molecular FormulaC98H100Cl3F4N27O6
Molecular Weight1934.41 g/mol
Exact Mass1931.74
IUPAC Name7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one)
SMILESC=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)nc4c(ncn4C)c3C(C)C)c3nc(-c4c(N)cccc4F)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)nc4c(ncn4C)c3C(C)C)c3nc(-c4c(N)cccc4F)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(F)nc4c(ncn4C)c3C3CC3)c3nc(-c4c(N)cccc4F)c(Cl)cc23)C[C@H]1C
InChIInChI=1S/2C33H35ClFN9O2.C32H30ClF2N9O2/c2*1-8-24(45)42-13-18(5)43(14-17(42)4)30-20-12-21(34)27(26-22(35)10-9-11-23(26)36)39-31(20)44(33(46)40-30)29-19(6)38-32-28(25(29)16(2)3)37-15-41(32)7;1-5-22(45)42-12-16(3)43(13-15(42)2)29-18-11-19(33)25(24-20(34)7-6-8-21(24)36)38-30(18)44(32(46)40-29)27-23(17-9-10-17)26-31(39-28(27)35)41(4)14-37-26/h2*8-12,15-18H,1,13-14,36H2,2-7H3;5-8,11,14-17H,1,9-10,12-13,36H2,2-4H3/t2*17-,18+;15-,16+/m111/s1
InChIKeyJVKCTLMMAKKNFA-DEBNLFHBSA-N
XLogP15.03
TPSA384.18 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.41
LogP ≤ 515.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-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

(E)-N-[6-[(3R)-3-[[5-chloro-4-[7-[(E)-3-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-5-fluoro-2-methylanilino]-3-oxoprop-1-enyl]-1H-indol-3-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-3-pyridinyl]-4-(dimethylamino)but-2-enamide
CID 134560512
7-(2-amino-5-chloro-4-pyridinyl)-4-[(2S)-4-[(Z)-3-[5-[7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]-2-methylpiperazin-1-yl]-6-chloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146254475
4-[(2S)-4-[(Z)-3-[5-[7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2R,6R)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]-2-methylpiperazin-1-yl]-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146254540
1-[5-[(Z)-3-[(3R,5S)-4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,5-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-3-propan-2-ylpyrazin-2-yl]-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 146254546
6-chloro-1-[4-[6-[(3S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-6-oxohex-4-en-2-yl]-6-propan-2-ylpyrimidin-5-yl]-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146254549
4-[(2S,5R)-4-[(Z)-3-[5-[7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-hydroxy-2H-pyrido[2,3-d]pyrimidin-1-yl]-4,6-di(propan-2-yl)pyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
CID 154970544
7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[(Z)-3-[(2R,5S)-4-[1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-7-(2-fluorophenyl)-2-hydroxy-2H-pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one
CID 154970604
4-[4-[(Z)-3-[5-[7-(2-amino-6-fluorophenyl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-2-hydroxy-2H-pyrido[2,3-d]pyrimidin-1-yl]-4,6-di(propan-2-yl)pyrimidin-2-yl]prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
CID 154970605
7-(2-amino-6-fluorophenyl)-6-chloro-1-(4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 155332527
7-(2-amino-6-fluorophenyl)-6-chloro-1-(1,6-dimethyl-4-propan-2-ylbenzimidazol-5-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 156552153
7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-cyclopropyl-6-fluoro-1-methylbenzimidazol-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 156552154
7-(2-amino-6-fluorophenyl)-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 156552163

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one)?
The IUPAC name of 7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one) (CID 159035472) is 7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one).
What is the SMILES notation for 7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one)?
The canonical SMILES for 7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one) is C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)nc4c(ncn4C)c3C(C)C)c3nc(-c4c(N)cccc4F)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)nc4c(ncn4C)c3C(C)C)c3nc(-c4c(N)cccc4F)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(F)nc4c(ncn4C)c3C3CC3)c3nc(-c4c(N)cccc4F)c(Cl)cc23)C[C@H]1C.
What is the InChIKey of 7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one)?
The InChIKey is JVKCTLMMAKKNFA-DEBNLFHBSA-N. The full InChI is InChI=1S/2C33H35ClFN9O2.C32H30ClF2N9O2/c2*1-8-24(45)42-13-18(5)43(14-17(42)4)30-20-12-21(34)27(26-22(35)10-9-11-23(26)36)39-31(20)44(33(46)40-30)29-19(6)38-32-28(25(29)16(2)3)37-15-41(32)7;1-5-22(45)42-12-16(3)43(13-15(42)2)29-18-11-19(33)25(24-20(34)7-6-8-21(24)36)38-30(18)44(32(46)40-29)27-23(17-9-10-17)26-31(39-28(27)35)41(4)14-37-26/h2*8-12,15-18H,1,13-14,36H2,2-7H3;5-8,11,14-17H,1,9-10,12-13,36H2,2-4H3/t2*17-,18+;15-,16+/m111/s1.
What are the key properties of 7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one)?
7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one) has a molecular weight of 1934.41 g/mol, XLogP of 15.03, 15 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-6-fluorophenyl)-6-chloro-1-(7-cyclopropyl-5-fluoro-3-methylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;bis(7-(2-amino-6-fluorophenyl)-6-chloro-1-(3,5-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one) is sourced from PubChem (CID 159035472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).