(4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C30H23F4N5O4 — CID 138976844

IUPAC(4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESN#Cc1ccnc(N2C(=O)OC[C@H]2C(=O)N(c2cc(F)cc(F)c2)[C@@]2(C(=O)NC3CC(F)(F)C3)CCc3ccccc32)c1
InChIInChI=1S/C30H23F4N5O4/c31-19-10-20(32)12-22(11-19)39(26(40)24-16-43-28(42)38(24)25-9-17(15-35)6-8-36-25)30(7-5-18-3-1-2-4-23(18)30)27(41)37-21-13-29(33,34)14-21/h1-4,6,8-12,21,24H,5,7,13-14,16H2,(H,37,41)/t24-,30-/m0/s1
InChIKeyATGUENBCVQSOGF-NGQVCNFZSA-N
MW593.54 g/mol
LogP4.35
Rot. Bonds6

About (4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 138976844) has the molecular formula C30H23F4N5O4 and a molecular weight of 593.54 g/mol. Its IUPAC name is (4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID138976844
Molecular FormulaC30H23F4N5O4
Molecular Weight593.54 g/mol
Exact Mass593.17
IUPAC Name(4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESN#Cc1ccnc(N2C(=O)OC[C@H]2C(=O)N(c2cc(F)cc(F)c2)[C@@]2(C(=O)NC3CC(F)(F)C3)CCc3ccccc32)c1
InChIInChI=1S/C30H23F4N5O4/c31-19-10-20(32)12-22(11-19)39(26(40)24-16-43-28(42)38(24)25-9-17(15-35)6-8-36-25)30(7-5-18-3-1-2-4-23(18)30)27(41)37-21-13-29(33,34)14-21/h1-4,6,8-12,21,24H,5,7,13-14,16H2,(H,37,41)/t24-,30-/m0/s1
InChIKeyATGUENBCVQSOGF-NGQVCNFZSA-N
XLogP4.35
TPSA115.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-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 (4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 138976844) is (4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide is N#Cc1ccnc(N2C(=O)OC[C@H]2C(=O)N(c2cc(F)cc(F)c2)[C@@]2(C(=O)NC3CC(F)(F)C3)CCc3ccccc32)c1.
What is the InChIKey of (4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is ATGUENBCVQSOGF-NGQVCNFZSA-N. The full InChI is InChI=1S/C30H23F4N5O4/c31-19-10-20(32)12-22(11-19)39(26(40)24-16-43-28(42)38(24)25-9-17(15-35)6-8-36-25)30(7-5-18-3-1-2-4-23(18)30)27(41)37-21-13-29(33,34)14-21/h1-4,6,8-12,21,24H,5,7,13-14,16H2,(H,37,41)/t24-,30-/m0/s1.
What are the key properties of (4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 593.54 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-cyano-2-pyridinyl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 138976844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).