N-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide

C32H30FN5O5S — CID 11963185

IUPACN-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccnc4cc(C(=O)N5CCC5)sc34)c(F)c2)c(=O)n(-c2ccccc2)n1CC(C)(C)O
InChIInChI=1S/C32H30FN5O5S/c1-19-27(31(41)38(21-8-5-4-6-9-21)37(19)18-32(2,3)42)29(39)35-20-10-11-24(22(33)16-20)43-25-12-13-34-23-17-26(44-28(23)25)30(40)36-14-7-15-36/h4-6,8-13,16-17,42H,7,14-15,18H2,1-3H3,(H,35,39)
InChIKeyCIQCAEOYTAZOFC-UHFFFAOYSA-N
MW615.69 g/mol
LogP5.36
Rot. Bonds8

About N-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide

N-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 11963185) has the molecular formula C32H30FN5O5S and a molecular weight of 615.69 g/mol. Its IUPAC name is N-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID11963185
Molecular FormulaC32H30FN5O5S
Molecular Weight615.69 g/mol
Exact Mass615.20
IUPAC NameN-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccnc4cc(C(=O)N5CCC5)sc34)c(F)c2)c(=O)n(-c2ccccc2)n1CC(C)(C)O
InChIInChI=1S/C32H30FN5O5S/c1-19-27(31(41)38(21-8-5-4-6-9-21)37(19)18-32(2,3)42)29(39)35-20-10-11-24(22(33)16-20)43-25-12-13-34-23-17-26(44-28(23)25)30(40)36-14-7-15-36/h4-6,8-13,16-17,42H,7,14-15,18H2,1-3H3,(H,35,39)
InChIKeyCIQCAEOYTAZOFC-UHFFFAOYSA-N
XLogP5.36
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.69
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide (CID 11963185) is N-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(C(=O)N5CCC5)sc34)c(F)c2)c(=O)n(-c2ccccc2)n1CC(C)(C)O.
What is the InChIKey of N-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is CIQCAEOYTAZOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN5O5S/c1-19-27(31(41)38(21-8-5-4-6-9-21)37(19)18-32(2,3)42)29(39)35-20-10-11-24(22(33)16-20)43-25-12-13-34-23-17-26(44-28(23)25)30(40)36-14-7-15-36/h4-6,8-13,16-17,42H,7,14-15,18H2,1-3H3,(H,35,39).
What are the key properties of N-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide?
N-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 615.69 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 11963185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).