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

C26H34FN5O3S — CID 170512203

IUPAC(7S,10R)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
SMILESCC(C)[C@@H]1CN(Cc2cncs2)CC(=O)NCCCc2ccc(F)c(c2)C(=O)N2CCC[C@H]2C(=O)N1
InChIInChI=1S/C26H34FN5O3S/c1-17(2)22-14-31(13-19-12-28-16-36-19)15-24(33)29-9-3-5-18-7-8-21(27)20(11-18)26(35)32-10-4-6-23(32)25(34)30-22/h7-8,11-12,16-17,22-23H,3-6,9-10,13-15H2,1-2H3,(H,29,33)(H,30,34)/t22-,23-/m0/s1
InChIKeyWEBRVASSTHEDFS-GOTSBHOMSA-N
MW515.66 g/mol
LogP2.59
Rot. Bonds3

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

(7S,10R)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione (PubChem CID 170512203) has the molecular formula C26H34FN5O3S and a molecular weight of 515.66 g/mol. Its IUPAC name is (7S,10R)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-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)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
PubChem CID170512203
Molecular FormulaC26H34FN5O3S
Molecular Weight515.66 g/mol
Exact Mass515.24
IUPAC Name(7S,10R)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
SMILESCC(C)[C@@H]1CN(Cc2cncs2)CC(=O)NCCCc2ccc(F)c(c2)C(=O)N2CCC[C@H]2C(=O)N1
InChIInChI=1S/C26H34FN5O3S/c1-17(2)22-14-31(13-19-12-28-16-36-19)15-24(33)29-9-3-5-18-7-8-21(27)20(11-18)26(35)32-10-4-6-23(32)25(34)30-22/h7-8,11-12,16-17,22-23H,3-6,9-10,13-15H2,1-2H3,(H,29,33)(H,30,34)/t22-,23-/m0/s1
InChIKeyWEBRVASSTHEDFS-GOTSBHOMSA-N
XLogP2.59
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7S,10R)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-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)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-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)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione (CID 170512203) is (7S,10R)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-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)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-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)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione is CC(C)[C@@H]1CN(Cc2cncs2)CC(=O)NCCCc2ccc(F)c(c2)C(=O)N2CCC[C@H]2C(=O)N1.
What is the InChIKey of (7S,10R)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione?
The InChIKey is WEBRVASSTHEDFS-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H34FN5O3S/c1-17(2)22-14-31(13-19-12-28-16-36-19)15-24(33)29-9-3-5-18-7-8-21(27)20(11-18)26(35)32-10-4-6-23(32)25(34)30-22/h7-8,11-12,16-17,22-23H,3-6,9-10,13-15H2,1-2H3,(H,29,33)(H,30,34)/t22-,23-/m0/s1.
What are the key properties of (7S,10R)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione?
(7S,10R)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-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 515.66 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,10R)-22-fluoro-10-propan-2-yl-12-(1,3-thiazol-5-ylmethyl)-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 170512203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).