(2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate

C17H14ClN3O4 — CID 167856979

IUPAC(2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc(Cl)c(COC(=O)c2cc3c(C)[nH]nc3cn2)c1
InChIInChI=1S/C17H14ClN3O4/c1-9-12-6-14(19-7-15(12)21-20-9)17(23)25-8-11-5-10(16(22)24-2)3-4-13(11)18/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyUINARPLYJNXGOM-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.06
Rot. Bonds4

About (2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate

(2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate (PubChem CID 167856979) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is (2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Name(2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate
PubChem CID167856979
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name(2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc(Cl)c(COC(=O)c2cc3c(C)[nH]nc3cn2)c1
InChIInChI=1S/C17H14ClN3O4/c1-9-12-6-14(19-7-15(12)21-20-9)17(23)25-8-11-5-10(16(22)24-2)3-4-13(11)18/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyUINARPLYJNXGOM-UHFFFAOYSA-N
XLogP3.06
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-methyl-2H-indazole-6-carboxylate
CID 22387979
methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
4-(2-chloro-5-methoxycarbonylphenyl)butanoic acid
CID 167695064
methyl 3-amino-4-[(2,5-dichlorophenyl)methoxy]benzoate
CID 65316790
methyl 2H-benzotriazole-5-carboxylate
CID 6409672
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
methyl 3,4-dichloroquinoline-6-carboxylate
CID 67773511
methyl 1-amino-4-chloroisoquinoline-6-carboxylate
CID 118660585
methanamine;methyl 3-chloro-4-ethoxybenzoate
CID 23512246
ethyl 3-chloro-2H-indazole-6-carboxylate
CID 131699852
methyl 4-chloro-3-[(2-chloropyrimidin-5-yl)methylamino]benzoate
CID 156753170
methyl 4-amino-3-[(3,4-dichlorophenyl)methoxy]benzoate
CID 43380152

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate?
The IUPAC name of (2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate (CID 167856979) is (2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate.
What is the SMILES notation for (2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate?
The canonical SMILES for (2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate is COC(=O)c1ccc(Cl)c(COC(=O)c2cc3c(C)[nH]nc3cn2)c1.
What is the InChIKey of (2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate?
The InChIKey is UINARPLYJNXGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c1-9-12-6-14(19-7-15(12)21-20-9)17(23)25-8-11-5-10(16(22)24-2)3-4-13(11)18/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of (2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate?
(2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate has a molecular weight of 359.77 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 167856979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).