(2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide

C18H14FN5O2 — CID 122540764

IUPAC(2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide
SMILESN#Cc1ccc(-c2cc(NC(=O)[C@@H]3CCCO3)cc3ncnn23)cc1F
InChIInChI=1S/C18H14FN5O2/c19-14-6-11(3-4-12(14)9-20)15-7-13(8-17-21-10-22-24(15)17)23-18(25)16-2-1-5-26-16/h3-4,6-8,10,16H,1-2,5H2,(H,23,25)/t16-/m0/s1
InChIKeyOUUKGGARMJMPSU-INIZCTEOSA-N
MW351.34 g/mol
LogP2.52
Rot. Bonds3

About (2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide

(2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide (PubChem CID 122540764) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is (2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide
PubChem CID122540764
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name(2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide
SMILESN#Cc1ccc(-c2cc(NC(=O)[C@@H]3CCCO3)cc3ncnn23)cc1F
InChIInChI=1S/C18H14FN5O2/c19-14-6-11(3-4-12(14)9-20)15-7-13(8-17-21-10-22-24(15)17)23-18(25)16-2-1-5-26-16/h3-4,6-8,10,16H,1-2,5H2,(H,23,25)/t16-/m0/s1
InChIKeyOUUKGGARMJMPSU-INIZCTEOSA-N
XLogP2.52
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide with MolForge

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Related Compounds

N-(7-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)oxolane-2-carboxamide
CID 4977668
N-(1-ethyl-6-methyl-1H-pyrazolo[3,4-b]quinolin-3-yl)tetrahydro-2-furancarboxamide
CID 4655315
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)oxolane-2-carboxamide
CID 4921367
N-(5-(4-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetamide
CID 122540630
N-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide
CID 4209814
US10287286, Example 150
CID 122540282
US10287286, Example 167
CID 122540326
US10287286, Example 172
CID 122540348
US10287286, Example 246
CID 122540369
US10287286, Example 244
CID 122540397
US10287286, Example 239
CID 122540401
US10287286, Example 161
CID 122540403

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide (CID 122540764) is (2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide is N#Cc1ccc(-c2cc(NC(=O)[C@@H]3CCCO3)cc3ncnn23)cc1F.
What is the InChIKey of (2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide?
The InChIKey is OUUKGGARMJMPSU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H14FN5O2/c19-14-6-11(3-4-12(14)9-20)15-7-13(8-17-21-10-22-24(15)17)23-18(25)16-2-1-5-26-16/h3-4,6-8,10,16H,1-2,5H2,(H,23,25)/t16-/m0/s1.
What are the key properties of (2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide?
(2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxolane-2-carboxamide is sourced from PubChem (CID 122540764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).