2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane

C17H15FIN6OP — CID 139324944

IUPAC2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane
SMILESFc1ccc(Cn2nnc3ccc(-c4cnn(CCOPI)c4)nc32)cc1
InChIInChI=1S/C17H15FIN6OP/c18-14-3-1-12(2-4-14)10-25-17-16(22-23-25)6-5-15(21-17)13-9-20-24(11-13)7-8-26-27-19/h1-6,9,11,27H,7-8,10H2
InChIKeyGJXMTZCUJYYMKR-UHFFFAOYSA-N
MW496.22 g/mol
LogP3.84
Rot. Bonds7

About 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane

2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane (PubChem CID 139324944) has the molecular formula C17H15FIN6OP and a molecular weight of 496.22 g/mol. Its IUPAC name is 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane.

Molecular Properties

Compound Name2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane
PubChem CID139324944
Molecular FormulaC17H15FIN6OP
Molecular Weight496.22 g/mol
Exact Mass496.01
IUPAC Name2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane
SMILESFc1ccc(Cn2nnc3ccc(-c4cnn(CCOPI)c4)nc32)cc1
InChIInChI=1S/C17H15FIN6OP/c18-14-3-1-12(2-4-14)10-25-17-16(22-23-25)6-5-15(21-17)13-9-20-24(11-13)7-8-26-27-19/h1-6,9,11,27H,7-8,10H2
InChIKeyGJXMTZCUJYYMKR-UHFFFAOYSA-N
XLogP3.84
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.22
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

6-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
CID 140911995
6-[[5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
CID 140911997
1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-ol
CID 53262064
1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one
CID 58514893
3-(2,3-dihydro-1H-indol-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyridine
CID 53262194
1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone
CID 58514905
6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 54670606
6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride
CID 66995540
6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
CID 140912006
6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 59341868
methanesulfonic acid;2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 24852079
3-[(2-chloro-3,6-difluorophenyl)methyl]-5-(3-fluorophenyl)triazolo[4,5-b]pyridine
CID 141320420

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane?
The IUPAC name of 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane (CID 139324944) is 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane.
What is the SMILES notation for 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane?
The canonical SMILES for 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane is Fc1ccc(Cn2nnc3ccc(-c4cnn(CCOPI)c4)nc32)cc1.
What is the InChIKey of 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane?
The InChIKey is GJXMTZCUJYYMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FIN6OP/c18-14-3-1-12(2-4-14)10-25-17-16(22-23-25)6-5-15(21-17)13-9-20-24(11-13)7-8-26-27-19/h1-6,9,11,27H,7-8,10H2.
What are the key properties of 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane?
2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane has a molecular weight of 496.22 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethoxy-iodophosphane is sourced from PubChem (CID 139324944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).