4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C18H24ClN3OSi — CID 156715455

IUPAC4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NC1CC[Si]2(CCCCC2)CC1)c1cc2c(Cl)cncc2[nH]1
InChIInChI=1S/C18H24ClN3OSi/c19-15-11-20-12-17-14(15)10-16(22-17)18(23)21-13-4-8-24(9-5-13)6-2-1-3-7-24/h10-13,22H,1-9H2,(H,21,23)
InChIKeyGIGNFFATORTYBA-UHFFFAOYSA-N
MW361.95 g/mol
LogP4.74
Rot. Bonds2

About 4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 156715455) has the molecular formula C18H24ClN3OSi and a molecular weight of 361.95 g/mol. Its IUPAC name is 4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID156715455
Molecular FormulaC18H24ClN3OSi
Molecular Weight361.95 g/mol
Exact Mass361.14
IUPAC Name4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NC1CC[Si]2(CCCCC2)CC1)c1cc2c(Cl)cncc2[nH]1
InChIInChI=1S/C18H24ClN3OSi/c19-15-11-20-12-17-14(15)10-16(22-17)18(23)21-13-4-8-24(9-5-13)6-2-1-3-7-24/h10-13,22H,1-9H2,(H,21,23)
InChIKeyGIGNFFATORTYBA-UHFFFAOYSA-N
XLogP4.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.95
LogP ≤ 54.74
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 4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 156715455) is 4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is O=C(NC1CC[Si]2(CCCCC2)CC1)c1cc2c(Cl)cncc2[nH]1.
What is the InChIKey of 4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is GIGNFFATORTYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3OSi/c19-15-11-20-12-17-14(15)10-16(22-17)18(23)21-13-4-8-24(9-5-13)6-2-1-3-7-24/h10-13,22H,1-9H2,(H,21,23).
What are the key properties of 4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 361.95 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-silaspiro[5.5]undecan-3-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 156715455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).