N-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide

C24H22F4N4O4 — CID 176996031

IUPACN-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide
SMILESCC1C(Oc2ccc(C(=O)NCC(F)F)nc2F)CN1Cc1ccc2c3c(c(=O)[nH]c2c1F)CCO3
InChIInChI=1S/C24H22F4N4O4/c1-11-17(36-16-5-4-15(30-22(16)28)24(34)29-8-18(25)26)10-32(11)9-12-2-3-13-20(19(12)27)31-23(33)14-6-7-35-21(13)14/h2-5,11,17-18H,6-10H2,1H3,(H,29,34)(H,31,33)
InChIKeyNDRALXSHTIPITN-UHFFFAOYSA-N
MW506.46 g/mol
LogP2.78
Rot. Bonds7

About N-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide

N-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 176996031) has the molecular formula C24H22F4N4O4 and a molecular weight of 506.46 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide
PubChem CID176996031
Molecular FormulaC24H22F4N4O4
Molecular Weight506.46 g/mol
Exact Mass506.16
IUPAC NameN-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide
SMILESCC1C(Oc2ccc(C(=O)NCC(F)F)nc2F)CN1Cc1ccc2c3c(c(=O)[nH]c2c1F)CCO3
InChIInChI=1S/C24H22F4N4O4/c1-11-17(36-16-5-4-15(30-22(16)28)24(34)29-8-18(25)26)10-32(11)9-12-2-3-13-20(19(12)27)31-23(33)14-6-7-35-21(13)14/h2-5,11,17-18H,6-10H2,1H3,(H,29,34)(H,31,33)
InChIKeyNDRALXSHTIPITN-UHFFFAOYSA-N
XLogP2.78
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide 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-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide (CID 176996031) is N-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide is CC1C(Oc2ccc(C(=O)NCC(F)F)nc2F)CN1Cc1ccc2c3c(c(=O)[nH]c2c1F)CCO3.
What is the InChIKey of N-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide?
The InChIKey is NDRALXSHTIPITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N4O4/c1-11-17(36-16-5-4-15(30-22(16)28)24(34)29-8-18(25)26)10-32(11)9-12-2-3-13-20(19(12)27)31-23(33)14-6-7-35-21(13)14/h2-5,11,17-18H,6-10H2,1H3,(H,29,34)(H,31,33).
What are the key properties of N-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide?
N-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 506.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-fluoro-5-[1-[(6-fluoro-4-oxo-3,5-dihydro-2H-furo[3,2-c]quinolin-7-yl)methyl]-2-methylazetidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 176996031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).