N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

C24H18FN5O3S — CID 66803643

IUPACN-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ncnc4ccsc34)c(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H18FN5O3S/c1-14-20(24(32)30(29(14)2)16-6-4-3-5-7-16)22(31)28-15-8-9-19(17(25)12-15)33-23-21-18(10-11-34-21)26-13-27-23/h3-13H,1-2H3,(H,28,31)
InChIKeyUGYOCAOXFIJNJX-UHFFFAOYSA-N
MW475.51 g/mol
LogP4.67
Rot. Bonds5

About N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 66803643) has the molecular formula C24H18FN5O3S and a molecular weight of 475.51 g/mol. Its IUPAC name is N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID66803643
Molecular FormulaC24H18FN5O3S
Molecular Weight475.51 g/mol
Exact Mass475.11
IUPAC NameN-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ncnc4ccsc34)c(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H18FN5O3S/c1-14-20(24(32)30(29(14)2)16-6-4-3-5-7-16)22(31)28-15-8-9-19(17(25)12-15)33-23-21-18(10-11-34-21)26-13-27-23/h3-13H,1-2H3,(H,28,31)
InChIKeyUGYOCAOXFIJNJX-UHFFFAOYSA-N
XLogP4.67
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-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

Related Compounds

N-[3-fluoro-4-(6H-thieno[3,2-b]azepin-8-yloxy)phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 163622808
N-[4-[[3-chloro-2-(diacetylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90032668
N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 59383942
N-[4-(6-bromo-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 70681644
N-[3-fluoro-4-[6-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 146699656
N-[4-(6-aminopyrimidin-4-yl)oxy-3-fluorophenyl]-1-(2-hydroxypropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 66619541
1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 46194994
N-[3-fluoro-4-[2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 164622414
7-[2-fluoro-4-[[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carbonyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 59864469
1-ethyl-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 58268648
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 144565430
N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 163637848

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (CID 66803643) is N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3ncnc4ccsc34)c(F)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is UGYOCAOXFIJNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O3S/c1-14-20(24(32)30(29(14)2)16-6-4-3-5-7-16)22(31)28-15-8-9-19(17(25)12-15)33-23-21-18(10-11-34-21)26-13-27-23/h3-13H,1-2H3,(H,28,31).
What are the key properties of N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 475.51 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 66803643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).