N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H21N5O3S2 — CID 16594021

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)Nc3nc(-c4ccc(OC)cc4OC)cs3)cc(-c3cccs3)nc21
InChIInChI=1S/C24H21N5O3S2/c1-4-29-22-17(12-25-29)16(11-18(26-22)21-6-5-9-33-21)23(30)28-24-27-19(13-34-24)15-8-7-14(31-2)10-20(15)32-3/h5-13H,4H2,1-3H3,(H,27,28,30)
InChIKeyIEBHFVNCEQNVGG-UHFFFAOYSA-N
MW491.60 g/mol
LogP5.57
Rot. Bonds7

About N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16594021) has the molecular formula C24H21N5O3S2 and a molecular weight of 491.60 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16594021
Molecular FormulaC24H21N5O3S2
Molecular Weight491.60 g/mol
Exact Mass491.11
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)Nc3nc(-c4ccc(OC)cc4OC)cs3)cc(-c3cccs3)nc21
InChIInChI=1S/C24H21N5O3S2/c1-4-29-22-17(12-25-29)16(11-18(26-22)21-6-5-9-33-21)23(30)28-24-27-19(13-34-24)15-8-7-14(31-2)10-20(15)32-3/h5-13H,4H2,1-3H3,(H,27,28,30)
InChIKeyIEBHFVNCEQNVGG-UHFFFAOYSA-N
XLogP5.57
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.60
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16594021) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)Nc3nc(-c4ccc(OC)cc4OC)cs3)cc(-c3cccs3)nc21.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IEBHFVNCEQNVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S2/c1-4-29-22-17(12-25-29)16(11-18(26-22)21-6-5-9-33-21)23(30)28-24-27-19(13-34-24)15-8-7-14(31-2)10-20(15)32-3/h5-13H,4H2,1-3H3,(H,27,28,30).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16594021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).