N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C24H17FN6OS2 — CID 30768032

IUPACN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C24H17FN6OS2/c1-14-11-18(19-12-26-31(21(19)27-14)13-17-3-2-9-33-17)23(32)29-22-20(15-4-6-16(25)7-5-15)28-24-30(22)8-10-34-24/h2-12H,13H2,1H3,(H,29,32)
InChIKeyFXXGOHDTRUWRDK-UHFFFAOYSA-N
MW488.57 g/mol
LogP5.62
Rot. Bonds5

About N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 30768032) has the molecular formula C24H17FN6OS2 and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID30768032
Molecular FormulaC24H17FN6OS2
Molecular Weight488.57 g/mol
Exact Mass488.09
IUPAC NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C24H17FN6OS2/c1-14-11-18(19-12-26-31(21(19)27-14)13-17-3-2-9-33-17)23(32)29-22-20(15-4-6-16(25)7-5-15)28-24-30(22)8-10-34-24/h2-12H,13H2,1H3,(H,29,32)
InChIKeyFXXGOHDTRUWRDK-UHFFFAOYSA-N
XLogP5.62
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 30768032) is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)c2cnn(Cc3cccs3)c2n1.
What is the InChIKey of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is FXXGOHDTRUWRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6OS2/c1-14-11-18(19-12-26-31(21(19)27-14)13-17-3-2-9-33-17)23(32)29-22-20(15-4-6-16(25)7-5-15)28-24-30(22)8-10-34-24/h2-12H,13H2,1H3,(H,29,32).
What are the key properties of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 488.57 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30768032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).