N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide

C30H25FN6O2S — CID 46889273

IUPACN-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(Oc3ccnc4cc(-c5cn(C)cn5)sc34)c(F)c2)cnn1-c1ccccc1
InChIInChI=1S/C30H25FN6O2S/c1-3-7-25-21(16-34-37(25)20-8-5-4-6-9-20)30(38)35-19-10-11-26(22(31)14-19)39-27-12-13-32-23-15-28(40-29(23)27)24-17-36(2)18-33-24/h4-6,8-18H,3,7H2,1-2H3,(H,35,38)
InChIKeyUVABKUWKYDJFPD-UHFFFAOYSA-N
MW552.64 g/mol
LogP7.02
Rot. Bonds8

About N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide

N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 46889273) has the molecular formula C30H25FN6O2S and a molecular weight of 552.64 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID46889273
Molecular FormulaC30H25FN6O2S
Molecular Weight552.64 g/mol
Exact Mass552.17
IUPAC NameN-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(Oc3ccnc4cc(-c5cn(C)cn5)sc34)c(F)c2)cnn1-c1ccccc1
InChIInChI=1S/C30H25FN6O2S/c1-3-7-25-21(16-34-37(25)20-8-5-4-6-9-20)30(38)35-19-10-11-26(22(31)14-19)39-27-12-13-32-23-15-28(40-29(23)27)24-17-36(2)18-33-24/h4-6,8-18H,3,7H2,1-2H3,(H,35,38)
InChIKeyUVABKUWKYDJFPD-UHFFFAOYSA-N
XLogP7.02
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-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-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide (CID 46889273) is N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2ccc(Oc3ccnc4cc(-c5cn(C)cn5)sc34)c(F)c2)cnn1-c1ccccc1.
What is the InChIKey of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is UVABKUWKYDJFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN6O2S/c1-3-7-25-21(16-34-37(25)20-8-5-4-6-9-20)30(38)35-19-10-11-26(22(31)14-19)39-27-12-13-32-23-15-28(40-29(23)27)24-17-36(2)18-33-24/h4-6,8-18H,3,7H2,1-2H3,(H,35,38).
What are the key properties of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 552.64 g/mol, XLogP of 7.02, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 46889273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).