2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide

C24H22FN5O2 — CID 146318358

IUPAC2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide
SMILESCC(C(=O)Nc1nc2ccccn2n1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12
InChIInChI=1S/C24H22FN5O2/c1-13(23(31)28-24-27-21-4-2-3-9-30(21)29-24)22-16-11-15(12-17(16)22)32-20-7-8-26-19-6-5-14(25)10-18(19)20/h2-10,13,15-17,22H,11-12H2,1H3,(H,28,29,31)/t13?,15?,16-,17+,22?
InChIKeyNBCQDBGFKYSUEA-OYCSEFRBSA-N
MW431.47 g/mol
LogP4.09
Rot. Bonds5

About 2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide

2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide (PubChem CID 146318358) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide
PubChem CID146318358
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide
SMILESCC(C(=O)Nc1nc2ccccn2n1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12
InChIInChI=1S/C24H22FN5O2/c1-13(23(31)28-24-27-21-4-2-3-9-30(21)29-24)22-16-11-15(12-17(16)22)32-20-7-8-26-19-6-5-14(25)10-18(19)20/h2-10,13,15-17,22H,11-12H2,1H3,(H,28,29,31)/t13?,15?,16-,17+,22?
InChIKeyNBCQDBGFKYSUEA-OYCSEFRBSA-N
XLogP4.09
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide?
The IUPAC name of 2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide (CID 146318358) is 2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide.
What is the SMILES notation for 2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide?
The canonical SMILES for 2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide is CC(C(=O)Nc1nc2ccccn2n1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12.
What is the InChIKey of 2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide?
The InChIKey is NBCQDBGFKYSUEA-OYCSEFRBSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-13(23(31)28-24-27-21-4-2-3-9-30(21)29-24)22-16-11-15(12-17(16)22)32-20-7-8-26-19-6-5-14(25)10-18(19)20/h2-10,13,15-17,22H,11-12H2,1H3,(H,28,29,31)/t13?,15?,16-,17+,22?.
What are the key properties of 2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide?
2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide has a molecular weight of 431.47 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide is sourced from PubChem (CID 146318358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).