[4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol

C23H20FN7O — CID 166570951

IUPAC[4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol
SMILESCc1nccc(Nc2nc3c(-c4ccc(CO)cc4F)c(-c4cn[nH]c4)ccn3n2)c1C
InChIInChI=1S/C23H20FN7O/c1-13-14(2)25-7-5-20(13)28-23-29-22-21(18-4-3-15(12-32)9-19(18)24)17(6-8-31(22)30-23)16-10-26-27-11-16/h3-11,32H,12H2,1-2H3,(H,26,27)(H,25,28,30)
InChIKeyWZRTYYMIVJVMAS-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.17
Rot. Bonds5

About [4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol

[4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol (PubChem CID 166570951) has the molecular formula C23H20FN7O and a molecular weight of 429.46 g/mol. Its IUPAC name is [4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol
PubChem CID166570951
Molecular FormulaC23H20FN7O
Molecular Weight429.46 g/mol
Exact Mass429.17
IUPAC Name[4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol
SMILESCc1nccc(Nc2nc3c(-c4ccc(CO)cc4F)c(-c4cn[nH]c4)ccn3n2)c1C
InChIInChI=1S/C23H20FN7O/c1-13-14(2)25-7-5-20(13)28-23-29-22-21(18-4-3-15(12-32)9-19(18)24)17(6-8-31(22)30-23)16-10-26-27-11-16/h3-11,32H,12H2,1-2H3,(H,26,27)(H,25,28,30)
InChIKeyWZRTYYMIVJVMAS-UHFFFAOYSA-N
XLogP4.17
TPSA104.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol?
The IUPAC name of [4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol (CID 166570951) is [4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol is Cc1nccc(Nc2nc3c(-c4ccc(CO)cc4F)c(-c4cn[nH]c4)ccn3n2)c1C.
What is the InChIKey of [4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol?
The InChIKey is WZRTYYMIVJVMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O/c1-13-14(2)25-7-5-20(13)28-23-29-22-21(18-4-3-15(12-32)9-19(18)24)17(6-8-31(22)30-23)16-10-26-27-11-16/h3-11,32H,12H2,1-2H3,(H,26,27)(H,25,28,30).
What are the key properties of [4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol?
[4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol has a molecular weight of 429.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol is sourced from PubChem (CID 166570951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).