N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C16H21F2N3OSi — CID 156715366

IUPACN-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2[nH]c(C(=O)NC3CC[Si](C)(C)CC3)cc2c(F)c1F
InChIInChI=1S/C16H21F2N3OSi/c1-9-13(17)14(18)11-8-12(21-15(11)19-9)16(22)20-10-4-6-23(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUFSYYMVEWGYGQP-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.75
Rot. Bonds2

About N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 156715366) has the molecular formula C16H21F2N3OSi and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID156715366
Molecular FormulaC16H21F2N3OSi
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC NameN-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2[nH]c(C(=O)NC3CC[Si](C)(C)CC3)cc2c(F)c1F
InChIInChI=1S/C16H21F2N3OSi/c1-9-13(17)14(18)11-8-12(21-15(11)19-9)16(22)20-10-4-6-23(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUFSYYMVEWGYGQP-UHFFFAOYSA-N
XLogP3.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 156715366) is N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is Cc1nc2[nH]c(C(=O)NC3CC[Si](C)(C)CC3)cc2c(F)c1F.
What is the InChIKey of N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is UFSYYMVEWGYGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3OSi/c1-9-13(17)14(18)11-8-12(21-15(11)19-9)16(22)20-10-4-6-23(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 156715366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).