N-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C22H15ClFN7O2 — CID 155511846

IUPACN-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5cccnc5Cl)cn4n3)c2)o1
InChIInChI=1S/C22H15ClFN7O2/c1-11-18(33-12(2)27-11)21(32)28-14-5-6-17(24)16(8-14)20-29-22-26-9-13(10-31(22)30-20)15-4-3-7-25-19(15)23/h3-10H,1-2H3,(H,28,32)
InChIKeyBOSGXLLFXFMPIV-UHFFFAOYSA-N
MW463.86 g/mol
LogP4.50
Rot. Bonds4

About N-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 155511846) has the molecular formula C22H15ClFN7O2 and a molecular weight of 463.86 g/mol. Its IUPAC name is N-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID155511846
Molecular FormulaC22H15ClFN7O2
Molecular Weight463.86 g/mol
Exact Mass463.10
IUPAC NameN-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5cccnc5Cl)cn4n3)c2)o1
InChIInChI=1S/C22H15ClFN7O2/c1-11-18(33-12(2)27-11)21(32)28-14-5-6-17(24)16(8-14)20-29-22-26-9-13(10-31(22)30-20)15-4-3-7-25-19(15)23/h3-10H,1-2H3,(H,28,32)
InChIKeyBOSGXLLFXFMPIV-UHFFFAOYSA-N
XLogP4.50
TPSA111.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 155511846) is N-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5cccnc5Cl)cn4n3)c2)o1.
What is the InChIKey of N-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is BOSGXLLFXFMPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN7O2/c1-11-18(33-12(2)27-11)21(32)28-14-5-6-17(24)16(8-14)20-29-22-26-9-13(10-31(22)30-20)15-4-3-7-25-19(15)23/h3-10H,1-2H3,(H,28,32).
What are the key properties of N-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 463.86 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2-chloro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 155511846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).