N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

C19H17FN4O2S — CID 51334625

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cnc3c(c2)c(C)nn3C)sc2cccc(F)c12
InChIInChI=1S/C19H17FN4O2S/c1-10-12-7-11(8-21-18(12)24(2)23-10)22-19(25)17-13(9-26-3)16-14(20)5-4-6-15(16)27-17/h4-8H,9H2,1-3H3,(H,22,25)
InChIKeyQAFHYQFCUXRQET-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.03
Rot. Bonds4

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (PubChem CID 51334625) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
PubChem CID51334625
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cnc3c(c2)c(C)nn3C)sc2cccc(F)c12
InChIInChI=1S/C19H17FN4O2S/c1-10-12-7-11(8-21-18(12)24(2)23-10)22-19(25)17-13(9-26-3)16-14(20)5-4-6-15(16)27-17/h4-8H,9H2,1-3H3,(H,22,25)
InChIKeyQAFHYQFCUXRQET-UHFFFAOYSA-N
XLogP4.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 3583690
1-propan-2-yl-N-pyrimidin-5-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 137634456
N-(4-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 137647865
N-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24581405
1-(propan-2-yl)-N-(pyridin-3-yl)-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 40103367
N-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52871211
6-(1-Benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600937
N-(3-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 137635959
1-propan-2-yl-N-pyridin-3-yl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 137651720
N-(5-carbamoyl-2-fluorophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 137653581
N-(2-fluorophenyl)-1-isopropyl-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 41527632
4-fluoro-N-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)benzamide
CID 137634560

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (CID 51334625) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is COCc1c(C(=O)Nc2cnc3c(c2)c(C)nn3C)sc2cccc(F)c12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is QAFHYQFCUXRQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-10-12-7-11(8-21-18(12)24(2)23-10)22-19(25)17-13(9-26-3)16-14(20)5-4-6-15(16)27-17/h4-8H,9H2,1-3H3,(H,22,25).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51334625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).