(7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione

C29H37FN4O5 — CID 169417490

IUPAC(7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
SMILESCc1cc(C(=O)N2CC(=O)NCCCc3ccc(F)c(c3)C(=O)N3CCC[C@H]3C(=O)N[C@H](C(C)C)C2)c(C)o1
InChIInChI=1S/C29H37FN4O5/c1-17(2)24-15-33(28(37)21-13-18(3)39-19(21)4)16-26(35)31-11-5-7-20-9-10-23(30)22(14-20)29(38)34-12-6-8-25(34)27(36)32-24/h9-10,13-14,17,24-25H,5-8,11-12,15-16H2,1-4H3,(H,31,35)(H,32,36)/t24-,25-/m0/s1
InChIKeyAHYRJYVHHBUSDD-DQEYMECFSA-N
MW540.64 g/mol
LogP2.99
Rot. Bonds2

About (7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione

(7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione (PubChem CID 169417490) has the molecular formula C29H37FN4O5 and a molecular weight of 540.64 g/mol. Its IUPAC name is (7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione.

Molecular Properties

Compound Name(7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
PubChem CID169417490
Molecular FormulaC29H37FN4O5
Molecular Weight540.64 g/mol
Exact Mass540.27
IUPAC Name(7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
SMILESCc1cc(C(=O)N2CC(=O)NCCCc3ccc(F)c(c3)C(=O)N3CCC[C@H]3C(=O)N[C@H](C(C)C)C2)c(C)o1
InChIInChI=1S/C29H37FN4O5/c1-17(2)24-15-33(28(37)21-13-18(3)39-19(21)4)16-26(35)31-11-5-7-20-9-10-23(30)22(14-20)29(38)34-12-6-8-25(34)27(36)32-24/h9-10,13-14,17,24-25H,5-8,11-12,15-16H2,1-4H3,(H,31,35)(H,32,36)/t24-,25-/m0/s1
InChIKeyAHYRJYVHHBUSDD-DQEYMECFSA-N
XLogP2.99
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.64
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione 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 (7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione?
The IUPAC name of (7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione (CID 169417490) is (7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione.
What is the SMILES notation for (7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione?
The canonical SMILES for (7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione is Cc1cc(C(=O)N2CC(=O)NCCCc3ccc(F)c(c3)C(=O)N3CCC[C@H]3C(=O)N[C@H](C(C)C)C2)c(C)o1.
What is the InChIKey of (7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione?
The InChIKey is AHYRJYVHHBUSDD-DQEYMECFSA-N. The full InChI is InChI=1S/C29H37FN4O5/c1-17(2)24-15-33(28(37)21-13-18(3)39-19(21)4)16-26(35)31-11-5-7-20-9-10-23(30)22(14-20)29(38)34-12-6-8-25(34)27(36)32-24/h9-10,13-14,17,24-25H,5-8,11-12,15-16H2,1-4H3,(H,31,35)(H,32,36)/t24-,25-/m0/s1.
What are the key properties of (7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione?
(7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione has a molecular weight of 540.64 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione is sourced from PubChem (CID 169417490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).