N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H19ClN4O2 — CID 134803462

IUPACN-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccccc3Cl)c3cnn(C)c3n2)c1
InChIInChI=1S/C22H19ClN4O2/c1-27-21-18(13-25-27)17(22(28)24-12-15-6-3-4-9-19(15)23)11-20(26-21)14-7-5-8-16(10-14)29-2/h3-11,13H,12H2,1-2H3,(H,24,28)
InChIKeyMFGFVEJTYHPTDM-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.23
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134803462) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134803462
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC NameN-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccccc3Cl)c3cnn(C)c3n2)c1
InChIInChI=1S/C22H19ClN4O2/c1-27-21-18(13-25-27)17(22(28)24-12-15-6-3-4-9-19(15)23)11-20(26-21)14-7-5-8-16(10-14)29-2/h3-11,13H,12H2,1-2H3,(H,24,28)
InChIKeyMFGFVEJTYHPTDM-UHFFFAOYSA-N
XLogP4.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803194
6-(3-methoxyphenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802083
6-(3-methoxyphenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803311
N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800795
N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134797275
N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794202
N-(3-fluorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802909
N-[(2-chlorophenyl)methyl]-4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 136529821
6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802899
6-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800911
N-[(3-chlorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134796049
[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 134801381

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134803462) is N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(-c2cc(C(=O)NCc3ccccc3Cl)c3cnn(C)c3n2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MFGFVEJTYHPTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-27-21-18(13-25-27)17(22(28)24-12-15-6-3-4-9-19(15)23)11-20(26-21)14-7-5-8-16(10-14)29-2/h3-11,13H,12H2,1-2H3,(H,24,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134803462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).