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

C22H21F3N4O2 — CID 156514299

IUPACN-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide
SMILESCC(C(=O)Nc1cnn(C(F)F)c1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12
InChIInChI=1S/C22H21F3N4O2/c1-11(21(30)28-13-9-27-29(10-13)22(24)25)20-15-7-14(8-16(15)20)31-19-4-5-26-18-3-2-12(23)6-17(18)19/h2-6,9-11,14-16,20,22H,7-8H2,1H3,(H,28,30)/t11?,14?,15-,16+,20?
InChIKeyIAZJRYMJFXHKML-QSLGTSKFSA-N
MW430.43 g/mol
LogP4.64
Rot. Bonds6

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

N-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide (PubChem CID 156514299) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide
PubChem CID156514299
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC NameN-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide
SMILESCC(C(=O)Nc1cnn(C(F)F)c1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12
InChIInChI=1S/C22H21F3N4O2/c1-11(21(30)28-13-9-27-29(10-13)22(24)25)20-15-7-14(8-16(15)20)31-19-4-5-26-18-3-2-12(23)6-17(18)19/h2-6,9-11,14-16,20,22H,7-8H2,1H3,(H,28,30)/t11?,14?,15-,16+,20?
InChIKeyIAZJRYMJFXHKML-QSLGTSKFSA-N
XLogP4.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide 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 N-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide?
The IUPAC name of N-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide (CID 156514299) is N-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide.
What is the SMILES notation for N-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide?
The canonical SMILES for N-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide is CC(C(=O)Nc1cnn(C(F)F)c1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12.
What is the InChIKey of N-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide?
The InChIKey is IAZJRYMJFXHKML-QSLGTSKFSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-11(21(30)28-13-9-27-29(10-13)22(24)25)20-15-7-14(8-16(15)20)31-19-4-5-26-18-3-2-12(23)6-17(18)19/h2-6,9-11,14-16,20,22H,7-8H2,1H3,(H,28,30)/t11?,14?,15-,16+,20?.
What are the key properties of N-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide?
N-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide has a molecular weight of 430.43 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)pyrazol-4-yl]-2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide is sourced from PubChem (CID 156514299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).