7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile

C93H74Cl9F6N21O6 — CID 166755998

About 7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile

7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile (PubChem CID 166755998) has the molecular formula C93H74Cl9F6N21O6 and a molecular weight of 2014.82 g/mol. Its IUPAC name is 7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile
• PubChem CID: 166755998
• Molecular Formula: C93H74Cl9F6N21O6
• Molecular Weight: 2014.82 g/mol
• Exact Mass: 2009.32
• IUPAC Name: 7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile
• SMILES: C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)cc(/C=C\C(=O)N4CCN(c5c(C#N)c(=O)n(-c6c(C)cc(/C=C\C(=O)N7CCN(c8c(C#N)c(=O)n(-c9c(C)ccnc9C(C)C)c9nc(-c%10c(F)c(F)c(Cl)c(N)c%10Cl)c(Cl)cc89)CC7)nc6C(C)C)c6nc(-c7c(F)c(F)c(Cl)c(N)c7Cl)c(Cl)cc56)CC4)nc3C(C)C)c3nc(-c4c(F)c(F)c(Cl)c(N)c4Cl)c(Cl)cc23)CC1
• InChI: InChI=1S/C93H74Cl9F6N21O6/c1-11-55(130)121-18-24-124(25-19-121)86-47-33-53(95)80(59-62(98)74(113)65(101)71(107)68(59)104)119-89(47)128(92(134)50(86)36-110)83-42(9)30-44(116-77(83)39(4)5)13-15-57(132)123-22-28-126(29-23-123)87-48-34-54(96)81(60-63(99)75(114)66(102)72(108)69(60)105)120-90(48)129(93(135)51(87)37-111)84-43(10)31-45(117-78(84)40(6)7)12-14-56(131)122-20-26-125(27-21-122)85-46-32-52(94)79(58-61(97)73(112)64(100)70(106)67(58)103)118-88(46)127(91(133)49(85)35-109)82-41(8)16-17-115-76(82)38(2)3/h11-17,30-34,38-40H,1,18-29,112-114H2,2-10H3/b14-12-,15-13-
• InChIKey: MHTYVGUNYRDGDJ-DZDAAMPGSA-N
• XLogP: 18.90
• TPSA: 363.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2014.82
LogP ≤ 5	18.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile?

The IUPAC name of 7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile (CID 166755998) is 7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile.

What is the SMILES notation for 7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile?

The canonical SMILES for 7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile is C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)cc(/C=C\C(=O)N4CCN(c5c(C#N)c(=O)n(-c6c(C)cc(/C=C\C(=O)N7CCN(c8c(C#N)c(=O)n(-c9c(C)ccnc9C(C)C)c9nc(-c%10c(F)c(F)c(Cl)c(N)c%10Cl)c(Cl)cc89)CC7)nc6C(C)C)c6nc(-c7c(F)c(F)c(Cl)c(N)c7Cl)c(Cl)cc56)CC4)nc3C(C)C)c3nc(-c4c(F)c(F)c(Cl)c(N)c4Cl)c(Cl)cc23)CC1.

What is the InChIKey of 7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile?

The InChIKey is MHTYVGUNYRDGDJ-DZDAAMPGSA-N. The full InChI is InChI=1S/C93H74Cl9F6N21O6/c1-11-55(130)121-18-24-124(25-19-121)86-47-33-53(95)80(59-62(98)74(113)65(101)71(107)68(59)104)119-89(47)128(92(134)50(86)36-110)83-42(9)30-44(116-77(83)39(4)5)13-15-57(132)123-22-28-126(29-23-123)87-48-34-54(96)81(60-63(99)75(114)66(102)72(108)69(60)105)120-90(48)129(93(135)51(87)37-111)84-43(10)31-45(117-78(84)40(6)7)12-14-56(131)122-20-26-125(27-21-122)85-46-32-52(94)79(58-61(97)73(112)64(100)70(106)67(58)103)118-88(46)127(91(133)49(85)35-109)82-41(8)16-17-115-76(82)38(2)3/h11-17,30-34,38-40H,1,18-29,112-114H2,2-10H3/b14-12-,15-13-.

What are the key properties of 7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile?

7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile has a molecular weight of 2014.82 g/mol, XLogP of 18.90, 17 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-4-[4-[(Z)-3-[5-[7-(3-amino-2,4-dichloro-5,6-difluorophenyl)-6-chloro-3-cyano-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-3-cyano-2-oxo-1,8-naphthyridin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]piperazin-1-yl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 166755998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).