6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one

C44H34Cl2N6O2 — CID 155171008

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc(C)[nH]c3nc2-c2cccc(Cc3cc(-c4cc5c(=O)c(C(C)C)c[nH]c5nc4-c4ccccc4)cc(Cl)n3)c2)cc(Cl)n1
InChIInChI=1S/C44H34Cl2N6O2/c1-23(2)36-22-47-43-35(42(36)54)21-33(40(51-43)27-10-6-5-7-11-27)30-17-31(50-39(46)19-30)16-26-9-8-12-28(15-26)41-32(29-13-24(3)48-38(45)18-29)20-34-37(53)14-25(4)49-44(34)52-41/h5-15,17-23H,16H2,1-4H3,(H,47,51,54)(H,49,52,53)
InChIKeyDRSBUISPZYSRIF-UHFFFAOYSA-N
MW749.70 g/mol
LogP10.26
Rot. Bonds7

About 6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one

6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one (PubChem CID 155171008) has the molecular formula C44H34Cl2N6O2 and a molecular weight of 749.70 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one
PubChem CID155171008
Molecular FormulaC44H34Cl2N6O2
Molecular Weight749.70 g/mol
Exact Mass748.21
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc(C)[nH]c3nc2-c2cccc(Cc3cc(-c4cc5c(=O)c(C(C)C)c[nH]c5nc4-c4ccccc4)cc(Cl)n3)c2)cc(Cl)n1
InChIInChI=1S/C44H34Cl2N6O2/c1-23(2)36-22-47-43-35(42(36)54)21-33(40(51-43)27-10-6-5-7-11-27)30-17-31(50-39(46)19-30)16-26-9-8-12-28(15-26)41-32(29-13-24(3)48-38(45)18-29)20-34-37(53)14-25(4)49-44(34)52-41/h5-15,17-23H,16H2,1-4H3,(H,47,51,54)(H,49,52,53)
InChIKeyDRSBUISPZYSRIF-UHFFFAOYSA-N
XLogP10.26
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.70
LogP ≤ 510.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-(2-Chloro-benzyl)-7-methyl-[1,8]naphthyridin-4-ol
CID 44403601
12-(2-chlorophenyl)-2,9-dimethyl-6H-quinolino[2,3-b]quinolin-11-one
CID 139215720
1-[2-Amino-6-[[1-[6-(2,4-dichlorophenyl)-3-(4-propan-2-ylpiperazine-1-carbonyl)pyridin-2-yl]piperidin-3-yl]amino]pyridin-3-yl]-2,2,2-trifluoroethanone
CID 44625680
2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)pyridin-2-yl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 44625681
2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)pyridin-2-yl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 44625683
3-[4-[[5-Chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]-1-pyridin-3-ylpropan-1-one
CID 58127143
2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 58379280
2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 58379281
6-(6-chloro-3-fluoro-2-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438023
6-(2-chloro-3-fluoro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438051
N-benzyl-6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide
CID 137438161
6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one
CID 137438181

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one (CID 155171008) is 6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)cc(C)[nH]c3nc2-c2cccc(Cc3cc(-c4cc5c(=O)c(C(C)C)c[nH]c5nc4-c4ccccc4)cc(Cl)n3)c2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one?
The InChIKey is DRSBUISPZYSRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34Cl2N6O2/c1-23(2)36-22-47-43-35(42(36)54)21-33(40(51-43)27-10-6-5-7-11-27)30-17-31(50-39(46)19-30)16-26-9-8-12-28(15-26)41-32(29-13-24(3)48-38(45)18-29)20-34-37(53)14-25(4)49-44(34)52-41/h5-15,17-23H,16H2,1-4H3,(H,47,51,54)(H,49,52,53).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one has a molecular weight of 749.70 g/mol, XLogP of 10.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-7-[3-[[6-chloro-4-(5-oxo-2-phenyl-6-propan-2-yl-8H-1,8-naphthyridin-3-yl)-2-pyridinyl]methyl]phenyl]-2-methyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155171008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).