4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C20H17ClN4O2S — CID 7626969

IUPAC4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(-n2nc(C)c3c(Cl)c(C(=O)NCc4cccs4)cnc32)cc1
InChIInChI=1S/C20H17ClN4O2S/c1-12-17-18(21)16(20(26)23-10-15-4-3-9-28-15)11-22-19(17)25(24-12)13-5-7-14(27-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,23,26)
InChIKeyJWYDMBGXMHPUKL-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.38
Rot. Bonds5

About 4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 7626969) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is 4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID7626969
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC Name4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(-n2nc(C)c3c(Cl)c(C(=O)NCc4cccs4)cnc32)cc1
InChIInChI=1S/C20H17ClN4O2S/c1-12-17-18(21)16(20(26)23-10-15-4-3-9-28-15)11-22-19(17)25(24-12)13-5-7-14(27-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,23,26)
InChIKeyJWYDMBGXMHPUKL-UHFFFAOYSA-N
XLogP4.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(3-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626977
4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626984
4-chloro-3-methyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626683
N-butyl-4-chloro-1-(4-methoxyphenyl)-N,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626907
4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627055
4-chloro-1-(4-fluorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626855
4-chloro-N-[(4-fluorophenyl)methyl]-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627313
2-[[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium
CID 7627054
4-chloro-3-methyl-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626606
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18583506
4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423439
4-chloro-N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 7626969) is 4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(-n2nc(C)c3c(Cl)c(C(=O)NCc4cccs4)cnc32)cc1.
What is the InChIKey of 4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JWYDMBGXMHPUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c1-12-17-18(21)16(20(26)23-10-15-4-3-9-28-15)11-22-19(17)25(24-12)13-5-7-14(27-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,23,26).
What are the key properties of 4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 412.90 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 7626969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).