5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride

C26H25ClN6O3S — CID 175911765

IUPAC5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride
SMILESCc1nc(C#N)c(C2CNC2)c(-c2ccnc3cc(CN4C(=O)C5C(C4=O)C5(C)C)sc23)c1C(N)=O.Cl
InChIInChI=1S/C26H24N6O3S.ClH/c1-11-17(23(28)33)19(18(12-8-29-9-12)16(7-27)31-11)14-4-5-30-15-6-13(36-22(14)15)10-32-24(34)20-21(25(32)35)26(20,2)3;/h4-6,12,20-21,29H,8-10H2,1-3H3,(H2,28,33);1H
InChIKeyRCPQWMWEEKANED-UHFFFAOYSA-N
MW537.05 g/mol
LogP2.89
Rot. Bonds5

About 5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride

5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride (PubChem CID 175911765) has the molecular formula C26H25ClN6O3S and a molecular weight of 537.05 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride
PubChem CID175911765
Molecular FormulaC26H25ClN6O3S
Molecular Weight537.05 g/mol
Exact Mass536.14
IUPAC Name5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride
SMILESCc1nc(C#N)c(C2CNC2)c(-c2ccnc3cc(CN4C(=O)C5C(C4=O)C5(C)C)sc23)c1C(N)=O.Cl
InChIInChI=1S/C26H24N6O3S.ClH/c1-11-17(23(28)33)19(18(12-8-29-9-12)16(7-27)31-11)14-4-5-30-15-6-13(36-22(14)15)10-32-24(34)20-21(25(32)35)26(20,2)3;/h4-6,12,20-21,29H,8-10H2,1-3H3,(H2,28,33);1H
InChIKeyRCPQWMWEEKANED-UHFFFAOYSA-N
XLogP2.89
TPSA142.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.05
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride 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 5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride (CID 175911765) is 5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride is Cc1nc(C#N)c(C2CNC2)c(-c2ccnc3cc(CN4C(=O)C5C(C4=O)C5(C)C)sc23)c1C(N)=O.Cl.
What is the InChIKey of 5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride?
The InChIKey is RCPQWMWEEKANED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3S.ClH/c1-11-17(23(28)33)19(18(12-8-29-9-12)16(7-27)31-11)14-4-5-30-15-6-13(36-22(14)15)10-32-24(34)20-21(25(32)35)26(20,2)3;/h4-6,12,20-21,29H,8-10H2,1-3H3,(H2,28,33);1H.
What are the key properties of 5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride?
5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride has a molecular weight of 537.05 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-6-cyano-4-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-2-methylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 175911765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).