N-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide

C22H14ClN5O2 — CID 118162650

IUPACN-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccccc4)cn3n2)c1)c1ccco1
InChIInChI=1S/C22H14ClN5O2/c23-18-9-8-16(25-21(29)19-7-4-10-30-19)11-17(18)20-26-22-24-12-15(13-28(22)27-20)14-5-2-1-3-6-14/h1-13H,(H,25,29)
InChIKeyUTZXTOGKRSSYMC-UHFFFAOYSA-N
MW415.84 g/mol
LogP4.96
Rot. Bonds4

About N-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide

N-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide (PubChem CID 118162650) has the molecular formula C22H14ClN5O2 and a molecular weight of 415.84 g/mol. Its IUPAC name is N-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide
PubChem CID118162650
Molecular FormulaC22H14ClN5O2
Molecular Weight415.84 g/mol
Exact Mass415.08
IUPAC NameN-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccccc4)cn3n2)c1)c1ccco1
InChIInChI=1S/C22H14ClN5O2/c23-18-9-8-16(25-21(29)19-7-4-10-30-19)11-17(18)20-26-22-24-12-15(13-28(22)27-20)14-5-2-1-3-6-14/h1-13H,(H,25,29)
InChIKeyUTZXTOGKRSSYMC-UHFFFAOYSA-N
XLogP4.96
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.84
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-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-[4-fluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 118162622
N-[3-[6-[4-(carbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]furan-2-carboxamide
CID 85472624
N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 85472746
2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 90457383
2-chloro-5-(furan-2-carbonylamino)benzoate
CID 7473194
N-(6-chloro-3-pyridinyl)furan-2-carboxamide
CID 54787856
N-[4-chloro-3-[6-[4-(cyclopropylcarbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 85472876
N-[4-(furan-2-carbonylamino)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51327615
N-phenazin-2-ylfuran-2-carboxamide
CID 73349396
N-[4-chloro-3-[5-[4-(2-oxobutyl)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 161286721
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide (CID 118162650) is N-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ncc(-c4ccccc4)cn3n2)c1)c1ccco1.
What is the InChIKey of N-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is UTZXTOGKRSSYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN5O2/c23-18-9-8-16(25-21(29)19-7-4-10-30-19)11-17(18)20-26-22-24-12-15(13-28(22)27-20)14-5-2-1-3-6-14/h1-13H,(H,25,29).
What are the key properties of N-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide?
N-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 415.84 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 118162650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).