3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide

C23H28FN5O — CID 164740515

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCCC1CCCCC1
InChIInChI=1S/C23H28FN5O/c1-15-9-10-18(17-11-13-29-19(14-17)27-23(25)28-29)21(24)20(15)22(30)26-12-5-8-16-6-3-2-4-7-16/h9-11,13-14,16H,2-8,12H2,1H3,(H2,25,28)(H,26,30)
InChIKeySNACPLHRWSDHBB-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.52
Rot. Bonds6

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide (PubChem CID 164740515) has the molecular formula C23H28FN5O and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide
PubChem CID164740515
Molecular FormulaC23H28FN5O
Molecular Weight409.51 g/mol
Exact Mass409.23
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCCC1CCCCC1
InChIInChI=1S/C23H28FN5O/c1-15-9-10-18(17-11-13-29-19(14-17)27-23(25)28-29)21(24)20(15)22(30)26-12-5-8-16-6-3-2-4-7-16/h9-11,13-14,16H,2-8,12H2,1H3,(H2,25,28)(H,26,30)
InChIKeySNACPLHRWSDHBB-UHFFFAOYSA-N
XLogP4.52
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide (CID 164740515) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide is Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCCC1CCCCC1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide?
The InChIKey is SNACPLHRWSDHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-15-9-10-18(17-11-13-29-19(14-17)27-23(25)28-29)21(24)20(15)22(30)26-12-5-8-16-6-3-2-4-7-16/h9-11,13-14,16H,2-8,12H2,1H3,(H2,25,28)(H,26,30).
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide has a molecular weight of 409.51 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-cyclohexylpropyl)-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 164740515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).