N-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

C24H18ClFN8O2S — CID 58925830

IUPACN-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(F)c1)Nc1ccc(-c2cncn2-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1
InChIInChI=1S/C24H18ClFN8O2S/c25-17-9-15(29-23(36)28-14-3-1-2-13(26)8-14)6-7-16(17)18-10-27-11-34(18)21-19-20(32-33-21)30-24(37-19)31-22(35)12-4-5-12/h1-3,6-12H,4-5H2,(H2,28,29,36)(H2,30,31,32,33,35)
InChIKeyKPCXEBPMZSWUAP-UHFFFAOYSA-N
MW536.98 g/mol
LogP5.66
Rot. Bonds6

About N-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

N-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925830) has the molecular formula C24H18ClFN8O2S and a molecular weight of 536.98 g/mol. Its IUPAC name is N-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID58925830
Molecular FormulaC24H18ClFN8O2S
Molecular Weight536.98 g/mol
Exact Mass536.09
IUPAC NameN-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(F)c1)Nc1ccc(-c2cncn2-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1
InChIInChI=1S/C24H18ClFN8O2S/c25-17-9-15(29-23(36)28-14-3-1-2-13(26)8-14)6-7-16(17)18-10-27-11-34(18)21-19-20(32-33-21)30-24(37-19)31-22(35)12-4-5-12/h1-3,6-12H,4-5H2,(H2,28,29,36)(H2,30,31,32,33,35)
InChIKeyKPCXEBPMZSWUAP-UHFFFAOYSA-N
XLogP5.66
TPSA129.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.98
LogP ≤ 55.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[5-(4-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925816
1-N'-[3-chloro-4-[3-[5-(cyclopropanecarbonylamino)-1H-pyrazolo[5,4-d][1,3]thiazol-3-yl]imidazol-4-yl]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 58925754
N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925759
N-[3-[5-(4-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925855
N-[3-[2-(2,4-dichlorophenyl)pyrrol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925859
N-[3-[5-(1,3-benzodioxol-4-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925737
N-[3-[5-(2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]morpholine-4-carboxamide
CID 58925735
3-[5-(2-chlorophenyl)imidazol-1-yl]-N-(cyclopropylmethyl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 58925803
N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925681
N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 160887198
N-[3-[5-[4-(tert-butylsulfamoylmethoxy)-2-chlorophenyl]imidazol-1-yl]-1-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 89358816
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925830) is N-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is O=C(Nc1cccc(F)c1)Nc1ccc(-c2cncn2-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1.
What is the InChIKey of N-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is KPCXEBPMZSWUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN8O2S/c25-17-9-15(29-23(36)28-14-3-1-2-13(26)8-14)6-7-16(17)18-10-27-11-34(18)21-19-20(32-33-21)30-24(37-19)31-22(35)12-4-5-12/h1-3,6-12H,4-5H2,(H2,28,29,36)(H2,30,31,32,33,35).
What are the key properties of N-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 536.98 g/mol, XLogP of 5.66, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[2-chloro-4-[(3-fluorophenyl)carbamoylamino]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).