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

C25H23FN4O2 — CID 146318362

IUPAC2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide
SMILESCC(C(=O)Nc1cc2ccccn2n1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12
InChIInChI=1S/C25H23FN4O2/c1-14(25(31)28-23-11-16-4-2-3-9-30(16)29-23)24-18-12-17(13-19(18)24)32-22-7-8-27-21-6-5-15(26)10-20(21)22/h2-11,14,17-19,24H,12-13H2,1H3,(H,28,29,31)/t14?,17?,18-,19+,24?
InChIKeyFWOPWKIEMJABRJ-KSBDCUONSA-N
MW430.48 g/mol
LogP4.70
Rot. Bonds5

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

2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide (PubChem CID 146318362) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide
PubChem CID146318362
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide
SMILESCC(C(=O)Nc1cc2ccccn2n1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12
InChIInChI=1S/C25H23FN4O2/c1-14(25(31)28-23-11-16-4-2-3-9-30(16)29-23)24-18-12-17(13-19(18)24)32-22-7-8-27-21-6-5-15(26)10-20(21)22/h2-11,14,17-19,24H,12-13H2,1H3,(H,28,29,31)/t14?,17?,18-,19+,24?
InChIKeyFWOPWKIEMJABRJ-KSBDCUONSA-N
XLogP4.70
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide?
The IUPAC name of 2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide (CID 146318362) is 2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide.
What is the SMILES notation for 2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide?
The canonical SMILES for 2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide is CC(C(=O)Nc1cc2ccccn2n1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12.
What is the InChIKey of 2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide?
The InChIKey is FWOPWKIEMJABRJ-KSBDCUONSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-14(25(31)28-23-11-16-4-2-3-9-30(16)29-23)24-18-12-17(13-19(18)24)32-22-7-8-27-21-6-5-15(26)10-20(21)22/h2-11,14,17-19,24H,12-13H2,1H3,(H,28,29,31)/t14?,17?,18-,19+,24?.
What are the key properties of 2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide?
2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide has a molecular weight of 430.48 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide is sourced from PubChem (CID 146318362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).