5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide

C23H23FN6O2 — CID 135304967

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C23H23FN6O2/c1-14-19(21(31)27-13-23(2,32)11-15-3-5-18(24)6-4-15)9-17(12-26-14)16-7-8-30-20(10-16)28-22(25)29-30/h3-10,12,32H,11,13H2,1-2H3,(H2,25,29)(H,27,31)
InChIKeyDVBXOBNOQIIWQT-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.54
Rot. Bonds6

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide (PubChem CID 135304967) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide
PubChem CID135304967
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C23H23FN6O2/c1-14-19(21(31)27-13-23(2,32)11-15-3-5-18(24)6-4-15)9-17(12-26-14)16-7-8-30-20(10-16)28-22(25)29-30/h3-10,12,32H,11,13H2,1-2H3,(H2,25,29)(H,27,31)
InChIKeyDVBXOBNOQIIWQT-UHFFFAOYSA-N
XLogP2.54
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.54
H-Bond Donors ≤ 53
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)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide (CID 135304967) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide is Cc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC(C)(O)Cc1ccc(F)cc1.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide?
The InChIKey is DVBXOBNOQIIWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-14-19(21(31)27-13-23(2,32)11-15-3-5-18(24)6-4-15)9-17(12-26-14)16-7-8-30-20(10-16)28-22(25)29-30/h3-10,12,32H,11,13H2,1-2H3,(H2,25,29)(H,27,31).
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 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)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 135304967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).