1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone

C19H23ClF2N4O4S — CID 134373790

IUPAC1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone
SMILESO=C(CN1CCCS1(=O)=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C19H23ClF2N4O4S/c20-14-8-12-10-23-24-17(12)15(9-14)18(28)19(21,22)13-2-5-25(6-3-13)16(27)11-26-4-1-7-31(26,29)30/h8-10,13,18,28H,1-7,11H2,(H,23,24)
InChIKeyJVVVWLYWCMNQSQ-UHFFFAOYSA-N
MW476.93 g/mol
LogP2.16
Rot. Bonds5

About 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone

1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone (PubChem CID 134373790) has the molecular formula C19H23ClF2N4O4S and a molecular weight of 476.93 g/mol. Its IUPAC name is 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone
PubChem CID134373790
Molecular FormulaC19H23ClF2N4O4S
Molecular Weight476.93 g/mol
Exact Mass476.11
IUPAC Name1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone
SMILESO=C(CN1CCCS1(=O)=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C19H23ClF2N4O4S/c20-14-8-12-10-23-24-17(12)15(9-14)18(28)19(21,22)13-2-5-25(6-3-13)16(27)11-26-4-1-7-31(26,29)30/h8-10,13,18,28H,1-7,11H2,(H,23,24)
InChIKeyJVVVWLYWCMNQSQ-UHFFFAOYSA-N
XLogP2.16
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.93
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone 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 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone?
The IUPAC name of 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone (CID 134373790) is 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone?
The canonical SMILES for 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone is O=C(CN1CCCS1(=O)=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone?
The InChIKey is JVVVWLYWCMNQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF2N4O4S/c20-14-8-12-10-23-24-17(12)15(9-14)18(28)19(21,22)13-2-5-25(6-3-13)16(27)11-26-4-1-7-31(26,29)30/h8-10,13,18,28H,1-7,11H2,(H,23,24).
What are the key properties of 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone?
1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone has a molecular weight of 476.93 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone is sourced from PubChem (CID 134373790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).