N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide

C15H13ClN4O2S — CID 58248810

IUPACN-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)CNC(=O)c3cccs3)c(Cl)c12
InChIInChI=1S/C15H13ClN4O2S/c1-8-12-13(16)9(6-17-14(12)20(2)19-8)10(21)7-18-15(22)11-4-3-5-23-11/h3-6H,7H2,1-2H3,(H,18,22)
InChIKeyWFZKJTAKDDGIIY-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.60
Rot. Bonds4

About N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 58248810) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID58248810
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC NameN-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)CNC(=O)c3cccs3)c(Cl)c12
InChIInChI=1S/C15H13ClN4O2S/c1-8-12-13(16)9(6-17-14(12)20(2)19-8)10(21)7-18-15(22)11-4-3-5-23-11/h3-6H,7H2,1-2H3,(H,18,22)
InChIKeyWFZKJTAKDDGIIY-UHFFFAOYSA-N
XLogP2.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 70807283
4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626969
4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 142159249
1,3-dimethyl-4-thiophen-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937705
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 75484362
N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 46756487
4-chloro-3-methyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626683
4-chloro-3-methyl-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626606
N-benzyl-4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 50826708
5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248868
N-[2-(2,6-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 110698088
N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 8943704

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide (CID 58248810) is N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide is Cc1nn(C)c2ncc(C(=O)CNC(=O)c3cccs3)c(Cl)c12.
What is the InChIKey of N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is WFZKJTAKDDGIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c1-8-12-13(16)9(6-17-14(12)20(2)19-8)10(21)7-18-15(22)11-4-3-5-23-11/h3-6H,7H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 348.82 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 58248810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).