2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid

C23H23ClN2O3S — CID 69092084

IUPAC2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid
SMILESCC(C)Oc1ncc(-c2cnc(-c3ccc4c(c3)CC[C@]4(C)CC(=O)O)s2)cc1Cl
InChIInChI=1S/C23H23ClN2O3S/c1-13(2)29-21-18(24)9-16(11-25-21)19-12-26-22(30-19)15-4-5-17-14(8-15)6-7-23(17,3)10-20(27)28/h4-5,8-9,11-13H,6-7,10H2,1-3H3,(H,27,28)/t23-/m1/s1
InChIKeyUIOODZUYXWOEDC-HSZRJFAPSA-N
MW442.97 g/mol
LogP5.99
Rot. Bonds6

About 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid

2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid (PubChem CID 69092084) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid
PubChem CID69092084
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid
SMILESCC(C)Oc1ncc(-c2cnc(-c3ccc4c(c3)CC[C@]4(C)CC(=O)O)s2)cc1Cl
InChIInChI=1S/C23H23ClN2O3S/c1-13(2)29-21-18(24)9-16(11-25-21)19-12-26-22(30-19)15-4-5-17-14(8-15)6-7-23(17,3)10-20(27)28/h4-5,8-9,11-13H,6-7,10H2,1-3H3,(H,27,28)/t23-/m1/s1
InChIKeyUIOODZUYXWOEDC-HSZRJFAPSA-N
XLogP5.99
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid 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 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid?
The IUPAC name of 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid (CID 69092084) is 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid.
What is the SMILES notation for 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid?
The canonical SMILES for 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid is CC(C)Oc1ncc(-c2cnc(-c3ccc4c(c3)CC[C@]4(C)CC(=O)O)s2)cc1Cl.
What is the InChIKey of 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid?
The InChIKey is UIOODZUYXWOEDC-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-13(2)29-21-18(24)9-16(11-25-21)19-12-26-22(30-19)15-4-5-17-14(8-15)6-7-23(17,3)10-20(27)28/h4-5,8-9,11-13H,6-7,10H2,1-3H3,(H,27,28)/t23-/m1/s1.
What are the key properties of 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid?
2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid has a molecular weight of 442.97 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3-thiazol-2-yl]-1-methyl-2,3-dihydroinden-1-yl]acetic acid is sourced from PubChem (CID 69092084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).