6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one

C52H40Cl2F2N10O2 — CID 91364948

IUPAC6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one
SMILESCn1cncc1C(N)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(F)c1)cc(=O)n2Cc1ccc(-c2cc(=O)n(C)c3ccc(C(N)(c4ccc(Cl)cc4)c4cncn4C)nc23)cc1F
InChIInChI=1S/C52H40Cl2F2N10O2/c1-63-28-59-25-45(63)51(57,33-9-13-36(53)14-10-33)35-21-41-39(30-5-4-6-38(55)19-30)22-48(68)66(50(41)61-24-35)27-32-8-7-31(20-42(32)56)40-23-47(67)65(3)43-17-18-44(62-49(40)43)52(58,46-26-60-29-64(46)2)34-11-15-37(54)16-12-34/h4-26,28-29H,27,57-58H2,1-3H3
InChIKeyMPWVNIXGAYLWII-UHFFFAOYSA-N
MW945.86 g/mol
LogP8.58
Rot. Bonds10

About 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one

6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one (PubChem CID 91364948) has the molecular formula C52H40Cl2F2N10O2 and a molecular weight of 945.86 g/mol. Its IUPAC name is 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one
PubChem CID91364948
Molecular FormulaC52H40Cl2F2N10O2
Molecular Weight945.86 g/mol
Exact Mass944.27
IUPAC Name6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one
SMILESCn1cncc1C(N)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(F)c1)cc(=O)n2Cc1ccc(-c2cc(=O)n(C)c3ccc(C(N)(c4ccc(Cl)cc4)c4cncn4C)nc23)cc1F
InChIInChI=1S/C52H40Cl2F2N10O2/c1-63-28-59-25-45(63)51(57,33-9-13-36(53)14-10-33)35-21-41-39(30-5-4-6-38(55)19-30)22-48(68)66(50(41)61-24-35)27-32-8-7-31(20-42(32)56)40-23-47(67)65(3)43-17-18-44(62-49(40)43)52(58,46-26-60-29-64(46)2)34-11-15-37(54)16-12-34/h4-26,28-29H,27,57-58H2,1-3H3
InChIKeyMPWVNIXGAYLWII-UHFFFAOYSA-N
XLogP8.58
TPSA157.46 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500945.86
LogP ≤ 58.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one (CID 91364948) is 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one is Cn1cncc1C(N)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(F)c1)cc(=O)n2Cc1ccc(-c2cc(=O)n(C)c3ccc(C(N)(c4ccc(Cl)cc4)c4cncn4C)nc23)cc1F.
What is the InChIKey of 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one?
The InChIKey is MPWVNIXGAYLWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40Cl2F2N10O2/c1-63-28-59-25-45(63)51(57,33-9-13-36(53)14-10-33)35-21-41-39(30-5-4-6-38(55)19-30)22-48(68)66(50(41)61-24-35)27-32-8-7-31(20-42(32)56)40-23-47(67)65(3)43-17-18-44(62-49(40)43)52(58,46-26-60-29-64(46)2)34-11-15-37(54)16-12-34/h4-26,28-29H,27,57-58H2,1-3H3.
What are the key properties of 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one?
6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one has a molecular weight of 945.86 g/mol, XLogP of 8.58, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[4-[[6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridin-1-yl]methyl]-3-fluorophenyl]-1-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 91364948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).