4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione

C24H31FN4O3S — CID 143400706

IUPAC4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione
SMILESCOc1c2c(cc(F)c1N1CCC(C(C)NC(C)C)C1)C(=O)c1c(s[nH]c1=O)N(C1CC1)C2
InChIInChI=1S/C24H31FN4O3S/c1-12(2)26-13(3)14-7-8-28(10-14)20-18(25)9-16-17(22(20)32-4)11-29(15-5-6-15)24-19(21(16)30)23(31)27-33-24/h9,12-15,26H,5-8,10-11H2,1-4H3,(H,27,31)
InChIKeyYNWKJTYKEPESEL-UHFFFAOYSA-N
MW474.60 g/mol
LogP3.51
Rot. Bonds6

About 4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione

4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione (PubChem CID 143400706) has the molecular formula C24H31FN4O3S and a molecular weight of 474.60 g/mol. Its IUPAC name is 4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione.

Molecular Properties

Compound Name4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione
PubChem CID143400706
Molecular FormulaC24H31FN4O3S
Molecular Weight474.60 g/mol
Exact Mass474.21
IUPAC Name4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione
SMILESCOc1c2c(cc(F)c1N1CCC(C(C)NC(C)C)C1)C(=O)c1c(s[nH]c1=O)N(C1CC1)C2
InChIInChI=1S/C24H31FN4O3S/c1-12(2)26-13(3)14-7-8-28(10-14)20-18(25)9-16-17(22(20)32-4)11-29(15-5-6-15)24-19(21(16)30)23(31)27-33-24/h9,12-15,26H,5-8,10-11H2,1-4H3,(H,27,31)
InChIKeyYNWKJTYKEPESEL-UHFFFAOYSA-N
XLogP3.51
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride
CID 140504612
9-cyclopropyl-7-[3-[1-(dimethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 67444535
9-cyclopropyl-6-fluoro-8-methoxy-7-[(3R)-3-[2-(2-methylpropylamino)propan-2-yl]pyrrolidin-1-yl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 53238830
1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-2,3-dihydroquinolin-4-one
CID 141383468
3-amino-7-[(3R)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10199584
9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride
CID 53238831
9-cyclopropyl-7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 66742227
7-[(3R)-3-[amino(1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride
CID 53236097
3-[6-[4-(dimethoxymethyl)piperidin-1-yl]-5,7-difluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165138113
7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-3a,9a-dihydro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 134401437
7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-8-(difluoromethoxy)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 24959485
7-[3-(aminomethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dihydroquinazolin-3-amine
CID 139960247

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione?
The IUPAC name of 4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione (CID 143400706) is 4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione.
What is the SMILES notation for 4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione?
The canonical SMILES for 4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione is COc1c2c(cc(F)c1N1CCC(C(C)NC(C)C)C1)C(=O)c1c(s[nH]c1=O)N(C1CC1)C2.
What is the InChIKey of 4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione?
The InChIKey is YNWKJTYKEPESEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3S/c1-12(2)26-13(3)14-7-8-28(10-14)20-18(25)9-16-17(22(20)32-4)11-29(15-5-6-15)24-19(21(16)30)23(31)27-33-24/h9,12-15,26H,5-8,10-11H2,1-4H3,(H,27,31).
What are the key properties of 4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione?
4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione has a molecular weight of 474.60 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-8-fluoro-6-methoxy-7-[3-[1-(propan-2-ylamino)ethyl]pyrrolidin-1-yl]-5H-[1,2]thiazolo[5,4-c][2]benzazepine-1,10-dione is sourced from PubChem (CID 143400706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).