(4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C30H23ClF3N5O4 — CID 145426790

IUPAC(4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESN#Cc1ccnc(N2C(=O)OC[C@H]2C(=O)N(c2cccc(F)c2)[C@@]2(C(=O)NC3CC(F)(F)C3)CCc3cccc(Cl)c32)c1
InChIInChI=1S/C30H23ClF3N5O4/c31-22-6-1-3-18-7-9-30(25(18)22,27(41)37-20-13-29(33,34)14-20)39(21-5-2-4-19(32)12-21)26(40)23-16-43-28(42)38(23)24-11-17(15-35)8-10-36-24/h1-6,8,10-12,20,23H,7,9,13-14,16H2,(H,37,41)/t23-,30-/m0/s1
InChIKeyRQQBSKLEQRCHFA-JHOBJCJYSA-N
MW609.99 g/mol
LogP4.86
Rot. Bonds6

About (4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 145426790) has the molecular formula C30H23ClF3N5O4 and a molecular weight of 609.99 g/mol. Its IUPAC name is (4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID145426790
Molecular FormulaC30H23ClF3N5O4
Molecular Weight609.99 g/mol
Exact Mass609.14
IUPAC Name(4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESN#Cc1ccnc(N2C(=O)OC[C@H]2C(=O)N(c2cccc(F)c2)[C@@]2(C(=O)NC3CC(F)(F)C3)CCc3cccc(Cl)c32)c1
InChIInChI=1S/C30H23ClF3N5O4/c31-22-6-1-3-18-7-9-30(25(18)22,27(41)37-20-13-29(33,34)14-20)39(21-5-2-4-19(32)12-21)26(40)23-16-43-28(42)38(23)24-11-17(15-35)8-10-36-24/h1-6,8,10-12,20,23H,7,9,13-14,16H2,(H,37,41)/t23-,30-/m0/s1
InChIKeyRQQBSKLEQRCHFA-JHOBJCJYSA-N
XLogP4.86
TPSA115.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.99
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 145426790) is (4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide is N#Cc1ccnc(N2C(=O)OC[C@H]2C(=O)N(c2cccc(F)c2)[C@@]2(C(=O)NC3CC(F)(F)C3)CCc3cccc(Cl)c32)c1.
What is the InChIKey of (4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is RQQBSKLEQRCHFA-JHOBJCJYSA-N. The full InChI is InChI=1S/C30H23ClF3N5O4/c31-22-6-1-3-18-7-9-30(25(18)22,27(41)37-20-13-29(33,34)14-20)39(21-5-2-4-19(32)12-21)26(40)23-16-43-28(42)38(23)24-11-17(15-35)8-10-36-24/h1-6,8,10-12,20,23H,7,9,13-14,16H2,(H,37,41)/t23-,30-/m0/s1.
What are the key properties of (4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 609.99 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1S)-7-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-3-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 145426790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).