4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C16H23ClN4OSi — CID 175284206

IUPAC4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(Cl)c2cc(C(=O)NC3CCC[Si](C)(C)CN3)[nH]c2n1
InChIInChI=1S/C16H23ClN4OSi/c1-10-7-12(17)11-8-13(20-15(11)19-10)16(22)21-14-5-4-6-23(2,3)9-18-14/h7-8,14,18H,4-6,9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyHQXZCYGKQRVOET-UHFFFAOYSA-N
MW350.93 g/mol
LogP3.21
Rot. Bonds2

About 4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 175284206) has the molecular formula C16H23ClN4OSi and a molecular weight of 350.93 g/mol. Its IUPAC name is 4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID175284206
Molecular FormulaC16H23ClN4OSi
Molecular Weight350.93 g/mol
Exact Mass350.13
IUPAC Name4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(Cl)c2cc(C(=O)NC3CCC[Si](C)(C)CN3)[nH]c2n1
InChIInChI=1S/C16H23ClN4OSi/c1-10-7-12(17)11-8-13(20-15(11)19-10)16(22)21-14-5-4-6-23(2,3)9-18-14/h7-8,14,18H,4-6,9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyHQXZCYGKQRVOET-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 175284206) is 4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is Cc1cc(Cl)c2cc(C(=O)NC3CCC[Si](C)(C)CN3)[nH]c2n1.
What is the InChIKey of 4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is HQXZCYGKQRVOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4OSi/c1-10-7-12(17)11-8-13(20-15(11)19-10)16(22)21-14-5-4-6-23(2,3)9-18-14/h7-8,14,18H,4-6,9H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-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-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 175284206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).