7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide

C19H17ClF3N5O3 — CID 167267305

IUPAC7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
SMILESC=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)c1cc2ccc(Cl)n2cn1
InChIInChI=1S/C19H17ClF3N5O3/c1-10(25-17(29)14-8-12-3-4-15(20)28(12)9-24-14)2-5-16-26-27-18(30-16)11-6-13(7-11)31-19(21,22)23/h3-4,8-9,11,13H,1-2,5-7H2,(H,25,29)
InChIKeyWZOVNQMZQKCDMX-UHFFFAOYSA-N
MW455.82 g/mol
LogP4.03
Rot. Bonds7

About 7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide

7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide (PubChem CID 167267305) has the molecular formula C19H17ClF3N5O3 and a molecular weight of 455.82 g/mol. Its IUPAC name is 7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
PubChem CID167267305
Molecular FormulaC19H17ClF3N5O3
Molecular Weight455.82 g/mol
Exact Mass455.10
IUPAC Name7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
SMILESC=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)c1cc2ccc(Cl)n2cn1
InChIInChI=1S/C19H17ClF3N5O3/c1-10(25-17(29)14-8-12-3-4-15(20)28(12)9-24-14)2-5-16-26-27-18(30-16)11-6-13(7-11)31-19(21,22)23/h3-4,8-9,11,13H,1-2,5-7H2,(H,25,29)
InChIKeyWZOVNQMZQKCDMX-UHFFFAOYSA-N
XLogP4.03
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.82
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 137491545
6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 137491546
6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137491669
7-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 137491721
6-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 156382667
6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-3-enyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 156382881
6-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 167267256
N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 167268128
7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 167268935

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
The IUPAC name of 7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide (CID 167267305) is 7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
The canonical SMILES for 7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide is C=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)c1cc2ccc(Cl)n2cn1.
What is the InChIKey of 7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
The InChIKey is WZOVNQMZQKCDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5O3/c1-10(25-17(29)14-8-12-3-4-15(20)28(12)9-24-14)2-5-16-26-27-18(30-16)11-6-13(7-11)31-19(21,22)23/h3-4,8-9,11,13H,1-2,5-7H2,(H,25,29).
What are the key properties of 7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide has a molecular weight of 455.82 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide is sourced from PubChem (CID 167267305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).