4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C16H23ClN4OSi — CID 175284207

IUPAC4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(Cl)c2cc(C(=O)NC3CCC[Si](C)(C)NC3)[nH]c2n1
InChIInChI=1S/C16H23ClN4OSi/c1-10-7-13(17)12-8-14(21-15(12)19-10)16(22)20-11-5-4-6-23(2,3)18-9-11/h7-8,11,18H,4-6,9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyFGVOJMQOTOCZJE-UHFFFAOYSA-N
MW350.93 g/mol
LogP3.21
Rot. Bonds2

About 4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 175284207) has the molecular formula C16H23ClN4OSi and a molecular weight of 350.93 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID175284207
Molecular FormulaC16H23ClN4OSi
Molecular Weight350.93 g/mol
Exact Mass350.13
IUPAC Name4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(Cl)c2cc(C(=O)NC3CCC[Si](C)(C)NC3)[nH]c2n1
InChIInChI=1S/C16H23ClN4OSi/c1-10-7-13(17)12-8-14(21-15(12)19-10)16(22)20-11-5-4-6-23(2,3)18-9-11/h7-8,11,18H,4-6,9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyFGVOJMQOTOCZJE-UHFFFAOYSA-N
XLogP3.21
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715462
4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715187
4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 175284206
CID 175283036
CID 175283036
N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 175268754
N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715366
4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide
CID 44555588
4,5-dichloro-N-(1,1-dimethylsilinan-4-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 156715348
4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 156715455
N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715362
7-chloro-N-cyclohexyl-2,8-dimethylquinoline-4-carboxamide
CID 17261236
4-methyl-N-piperidin-3-yl-1H-indole-2-carboxamide
CID 68708484

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 175284207) is 4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is Cc1cc(Cl)c2cc(C(=O)NC3CCC[Si](C)(C)NC3)[nH]c2n1.
What is the InChIKey of 4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is FGVOJMQOTOCZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4OSi/c1-10-7-13(17)12-8-14(21-15(12)19-10)16(22)20-11-5-4-6-23(2,3)18-9-11/h7-8,11,18H,4-6,9H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 350.93 g/mol, XLogP of 3.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 175284207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).