N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C20H17ClF2N8O — CID 134415310

IUPACN-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(Nc2nc3n(n2)CCCN3c2ccc(F)c(F)c2)cnc1-n1cnc(Cl)c1
InChIInChI=1S/C20H17ClF2N8O/c1-32-16-7-12(9-24-18(16)29-10-17(21)25-11-29)26-19-27-20-30(5-2-6-31(20)28-19)13-3-4-14(22)15(23)8-13/h3-4,7-11H,2,5-6H2,1H3,(H,26,28)
InChIKeyACFFLYXUZCQLLM-UHFFFAOYSA-N
MW458.86 g/mol
LogP4.08
Rot. Bonds5

About N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 134415310) has the molecular formula C20H17ClF2N8O and a molecular weight of 458.86 g/mol. Its IUPAC name is N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID134415310
Molecular FormulaC20H17ClF2N8O
Molecular Weight458.86 g/mol
Exact Mass458.12
IUPAC NameN-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(Nc2nc3n(n2)CCCN3c2ccc(F)c(F)c2)cnc1-n1cnc(Cl)c1
InChIInChI=1S/C20H17ClF2N8O/c1-32-16-7-12(9-24-18(16)29-10-17(21)25-11-29)26-19-27-20-30(5-2-6-31(20)28-19)13-3-4-14(22)15(23)8-13/h3-4,7-11H,2,5-6H2,1H3,(H,26,28)
InChIKeyACFFLYXUZCQLLM-UHFFFAOYSA-N
XLogP4.08
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.86
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 134415310) is N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1cc(Nc2nc3n(n2)CCCN3c2ccc(F)c(F)c2)cnc1-n1cnc(Cl)c1.
What is the InChIKey of N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is ACFFLYXUZCQLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N8O/c1-32-16-7-12(9-24-18(16)29-10-17(21)25-11-29)26-19-27-20-30(5-2-6-31(20)28-19)13-3-4-14(22)15(23)8-13/h3-4,7-11H,2,5-6H2,1H3,(H,26,28).
What are the key properties of N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 458.86 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 134415310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).