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

C19H21ClN6O3S2 — CID 44623443

IUPACN-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2nc3ccc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)nc3s2)CC1
InChIInChI=1S/C19H21ClN6O3S2/c1-26-7-5-11(6-8-26)17(27)24-19-23-14-4-3-13(22-18(14)30-19)12-9-15(16(20)21-10-12)25-31(2,28)29/h3-4,9-11,25H,5-8H2,1-2H3,(H,23,24,27)
InChIKeyXQUQJEHZNPNINA-UHFFFAOYSA-N
MW481.00 g/mol
LogP3.06
Rot. Bonds5

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

N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 44623443) has the molecular formula C19H21ClN6O3S2 and a molecular weight of 481.00 g/mol. Its IUPAC name is N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-1-methylpiperidine-4-carboxamide
PubChem CID44623443
Molecular FormulaC19H21ClN6O3S2
Molecular Weight481.00 g/mol
Exact Mass480.08
IUPAC NameN-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2nc3ccc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)nc3s2)CC1
InChIInChI=1S/C19H21ClN6O3S2/c1-26-7-5-11(6-8-26)17(27)24-19-23-14-4-3-13(22-18(14)30-19)12-9-15(16(20)21-10-12)25-31(2,28)29/h3-4,9-11,25H,5-8H2,1-2H3,(H,23,24,27)
InChIKeyXQUQJEHZNPNINA-UHFFFAOYSA-N
XLogP3.06
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-1-methylpiperidine-4-carboxamide (CID 44623443) is N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=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]-1-methylpiperidine-4-carboxamide?
The InChIKey is XQUQJEHZNPNINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O3S2/c1-26-7-5-11(6-8-26)17(27)24-19-23-14-4-3-13(22-18(14)30-19)12-9-15(16(20)21-10-12)25-31(2,28)29/h3-4,9-11,25H,5-8H2,1-2H3,(H,23,24,27).
What are the key properties of N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-1-methylpiperidine-4-carboxamide?
N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 481.00 g/mol, XLogP of 3.06, 5 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]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 44623443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).