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

C20H18ClFN8O — CID 134415645

IUPACN-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(Nc2nc3n(n2)CCCN3c2ccc(F)cc2)cnc1-n1cnc(Cl)c1
InChIInChI=1S/C20H18ClFN8O/c1-31-16-9-14(10-23-18(16)28-11-17(21)24-12-28)25-19-26-20-29(7-2-8-30(20)27-19)15-5-3-13(22)4-6-15/h3-6,9-12H,2,7-8H2,1H3,(H,25,27)
InChIKeyNXFBPNASOGYCHX-UHFFFAOYSA-N
MW440.87 g/mol
LogP3.95
Rot. Bonds5

About N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(4-fluorophenyl)-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-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 134415645) has the molecular formula C20H18ClFN8O and a molecular weight of 440.87 g/mol. Its IUPAC name is N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(4-fluorophenyl)-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-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID134415645
Molecular FormulaC20H18ClFN8O
Molecular Weight440.87 g/mol
Exact Mass440.13
IUPAC NameN-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(Nc2nc3n(n2)CCCN3c2ccc(F)cc2)cnc1-n1cnc(Cl)c1
InChIInChI=1S/C20H18ClFN8O/c1-31-16-9-14(10-23-18(16)28-11-17(21)24-12-28)25-19-26-20-29(7-2-8-30(20)27-19)15-5-3-13(22)4-6-15/h3-6,9-12H,2,7-8H2,1H3,(H,25,27)
InChIKeyNXFBPNASOGYCHX-UHFFFAOYSA-N
XLogP3.95
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.87
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(4-fluorophenyl)-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-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 134415645) is N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1cc(Nc2nc3n(n2)CCCN3c2ccc(F)cc2)cnc1-n1cnc(Cl)c1.
What is the InChIKey of N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is NXFBPNASOGYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN8O/c1-31-16-9-14(10-23-18(16)28-11-17(21)24-12-28)25-19-26-20-29(7-2-8-30(20)27-19)15-5-3-13(22)4-6-15/h3-6,9-12H,2,7-8H2,1H3,(H,25,27).
What are the key properties of N-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-(4-fluorophenyl)-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-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 440.87 g/mol, XLogP of 3.95, 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-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 134415645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).