5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide

C24H23FN6O2 — CID 150121188

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC1(c2ccccc2F)CC1
InChIInChI=1S/C24H23FN6O2/c1-2-33-22-17(21(32)28-14-24(8-9-24)18-5-3-4-6-19(18)25)11-16(13-27-22)15-7-10-31-20(12-15)29-23(26)30-31/h3-7,10-13H,2,8-9,14H2,1H3,(H2,26,30)(H,28,32)
InChIKeyDZHDUUGWAVBVTM-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.37
Rot. Bonds7

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide (PubChem CID 150121188) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
PubChem CID150121188
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC1(c2ccccc2F)CC1
InChIInChI=1S/C24H23FN6O2/c1-2-33-22-17(21(32)28-14-24(8-9-24)18-5-3-4-6-19(18)25)11-16(13-27-22)15-7-10-31-20(12-15)29-23(26)30-31/h3-7,10-13H,2,8-9,14H2,1H3,(H2,26,30)(H,28,32)
InChIKeyDZHDUUGWAVBVTM-UHFFFAOYSA-N
XLogP3.37
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide (CID 150121188) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide is CCOc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC1(c2ccccc2F)CC1.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The InChIKey is DZHDUUGWAVBVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-2-33-22-17(21(32)28-14-24(8-9-24)18-5-3-4-6-19(18)25)11-16(13-27-22)15-7-10-31-20(12-15)29-23(26)30-31/h3-7,10-13H,2,8-9,14H2,1H3,(H2,26,30)(H,28,32).
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 150121188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).