dimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate

C23H18ClN5O4 — CID 168645076

IUPACdimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cc(Cl)c3cn[nH]c3c2)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C23H18ClN5O4/c1-32-22(30)19-18(12-6-4-3-5-7-12)14(10-25)21(26)29(20(19)23(31)33-2)13-8-16(24)15-11-27-28-17(15)9-13/h3-9,11,18H,26H2,1-2H3,(H,27,28)
InChIKeyKSVZGYGVDPAQIW-UHFFFAOYSA-N
MW463.88 g/mol
LogP3.11
Rot. Bonds4

About dimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate

dimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate (PubChem CID 168645076) has the molecular formula C23H18ClN5O4 and a molecular weight of 463.88 g/mol. Its IUPAC name is dimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
PubChem CID168645076
Molecular FormulaC23H18ClN5O4
Molecular Weight463.88 g/mol
Exact Mass463.10
IUPAC Namedimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cc(Cl)c3cn[nH]c3c2)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C23H18ClN5O4/c1-32-22(30)19-18(12-6-4-3-5-7-12)14(10-25)21(26)29(20(19)23(31)33-2)13-8-16(24)15-11-27-28-17(15)9-13/h3-9,11,18H,26H2,1-2H3,(H,27,28)
InChIKeyKSVZGYGVDPAQIW-UHFFFAOYSA-N
XLogP3.11
TPSA134.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.88
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze dimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

dimethyl 6-amino-5-cyano-1-(3,4-dichlorophenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168600937
dimethyl 6-amino-1-(3-chloro-4-methylphenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641270
dimethyl 6-amino-1-(4-chloro-3-methoxycarbonylphenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641260
dimethyl 6-amino-5-cyano-1-(3,5-diiodophenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168643021
dimethyl 6-amino-1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644775
dimethyl 6-amino-1-(4-bromo-2-chlorophenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168600916
dimethyl 6-amino-5-cyano-1-(3,5-dibromo-4-hydroxyphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641590
dimethyl 6-amino-1-(3-bromophenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168600942
dimethyl 6-amino-1-(4-carbonochloridoylphenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644691
dimethyl 6-amino-5-cyano-4-phenyl-1-[4-(4-phenylphenyl)phenyl]-4H-pyridine-2,3-dicarboxylate
CID 168641655
dimethyl 6-amino-5-cyano-1-(4-hydroxy-3,5-diphenylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645089
dimethyl 6-amino-1-(4-chloro-5-fluoro-2-hydroxyphenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644281

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate (CID 168645076) is dimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2cc(Cl)c3cn[nH]c3c2)C(N)=C(C#N)C1c1ccccc1.
What is the InChIKey of dimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The InChIKey is KSVZGYGVDPAQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O4/c1-32-22(30)19-18(12-6-4-3-5-7-12)14(10-25)21(26)29(20(19)23(31)33-2)13-8-16(24)15-11-27-28-17(15)9-13/h3-9,11,18H,26H2,1-2H3,(H,27,28).
What are the key properties of dimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate?
dimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate has a molecular weight of 463.88 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-amino-1-(4-chloro-1H-indazol-6-yl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate is sourced from PubChem (CID 168645076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).