5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]

C19H16N4 — CID 166034655

IUPAC5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]
SMILES[C-]#[N+]Cc1ccc2[nH]cc(-c3cnc4c(c3)C3(CC3)CN4)c2c1
InChIInChI=1S/C19H16N4/c1-20-8-12-2-3-17-14(6-12)15(10-21-17)13-7-16-18(22-9-13)23-11-19(16)4-5-19/h2-3,6-7,9-10,21H,4-5,8,11H2,(H,22,23)
InChIKeyKAIROOSTAFFVTB-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.11
Rot. Bonds2

About 5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]

5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane] (PubChem CID 166034655) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane].

Molecular Properties

Compound Name5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]
PubChem CID166034655
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]
SMILES[C-]#[N+]Cc1ccc2[nH]cc(-c3cnc4c(c3)C3(CC3)CN4)c2c1
InChIInChI=1S/C19H16N4/c1-20-8-12-2-3-17-14(6-12)15(10-21-17)13-7-16-18(22-9-13)23-11-19(16)4-5-19/h2-3,6-7,9-10,21H,4-5,8,11H2,(H,22,23)
InChIKeyKAIROOSTAFFVTB-UHFFFAOYSA-N
XLogP4.11
TPSA45.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]?
The IUPAC name of 5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane] (CID 166034655) is 5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane].
What is the SMILES notation for 5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]?
The canonical SMILES for 5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane] is [C-]#[N+]Cc1ccc2[nH]cc(-c3cnc4c(c3)C3(CC3)CN4)c2c1.
What is the InChIKey of 5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]?
The InChIKey is KAIROOSTAFFVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-20-8-12-2-3-17-14(6-12)15(10-21-17)13-7-16-18(22-9-13)23-11-19(16)4-5-19/h2-3,6-7,9-10,21H,4-5,8,11H2,(H,22,23).
What are the key properties of 5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]?
5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane] has a molecular weight of 300.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(isocyanomethyl)-1H-indol-3-yl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane] is sourced from PubChem (CID 166034655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).