N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide

C20H23ClN6O3S2 — CID 44623445

IUPACN-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)Nc2nc3ccc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)nc3s2)CC1
InChIInChI=1S/C20H23ClN6O3S2/c1-27-7-5-12(6-8-27)9-17(28)25-20-24-15-4-3-14(23-19(15)31-20)13-10-16(18(21)22-11-13)26-32(2,29)30/h3-4,10-12,26H,5-9H2,1-2H3,(H,24,25,28)
InChIKeyLSDOCSXWDMFBQF-UHFFFAOYSA-N
MW495.03 g/mol
LogP3.45
Rot. Bonds6

About N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide

N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 44623445) has the molecular formula C20H23ClN6O3S2 and a molecular weight of 495.03 g/mol. Its IUPAC name is N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID44623445
Molecular FormulaC20H23ClN6O3S2
Molecular Weight495.03 g/mol
Exact Mass494.10
IUPAC NameN-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)Nc2nc3ccc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)nc3s2)CC1
InChIInChI=1S/C20H23ClN6O3S2/c1-27-7-5-12(6-8-27)9-17(28)25-20-24-15-4-3-14(23-19(15)31-20)13-10-16(18(21)22-11-13)26-32(2,29)30/h3-4,10-12,26H,5-9H2,1-2H3,(H,24,25,28)
InChIKeyLSDOCSXWDMFBQF-UHFFFAOYSA-N
XLogP3.45
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.03
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide 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 N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide (CID 44623445) is N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide is CN1CCC(CC(=O)Nc2nc3ccc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)nc3s2)CC1.
What is the InChIKey of N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is LSDOCSXWDMFBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O3S2/c1-27-7-5-12(6-8-27)9-17(28)25-20-24-15-4-3-14(23-19(15)31-20)13-10-16(18(21)22-11-13)26-32(2,29)30/h3-4,10-12,26H,5-9H2,1-2H3,(H,24,25,28).
What are the key properties of N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide?
N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 495.03 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 44623445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).