2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one

C24H17N5O2 — CID 16735523

IUPAC2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one
SMILESO=C1Nc2ncccc2C12Cc1cc3nc(Cc4nc5ccccc5o4)[nH]c3cc1C2
InChIInChI=1S/C24H17N5O2/c30-23-24(15-4-3-7-25-22(15)29-23)11-13-8-17-18(9-14(13)12-24)27-20(26-17)10-21-28-16-5-1-2-6-19(16)31-21/h1-9H,10-12H2,(H,26,27)(H,25,29,30)
InChIKeyNIGMGMDZBQTWKK-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.68
Rot. Bonds2

About 2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one

2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one (PubChem CID 16735523) has the molecular formula C24H17N5O2 and a molecular weight of 407.43 g/mol. Its IUPAC name is 2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one.

Molecular Properties

Compound Name2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one
PubChem CID16735523
Molecular FormulaC24H17N5O2
Molecular Weight407.43 g/mol
Exact Mass407.14
IUPAC Name2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one
SMILESO=C1Nc2ncccc2C12Cc1cc3nc(Cc4nc5ccccc5o4)[nH]c3cc1C2
InChIInChI=1S/C24H17N5O2/c30-23-24(15-4-3-7-25-22(15)29-23)11-13-8-17-18(9-14(13)12-24)27-20(26-17)10-21-28-16-5-1-2-6-19(16)31-21/h1-9H,10-12H2,(H,26,27)(H,25,29,30)
InChIKeyNIGMGMDZBQTWKK-UHFFFAOYSA-N
XLogP3.68
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one?
The IUPAC name of 2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one (CID 16735523) is 2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one.
What is the SMILES notation for 2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one?
The canonical SMILES for 2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one is O=C1Nc2ncccc2C12Cc1cc3nc(Cc4nc5ccccc5o4)[nH]c3cc1C2.
What is the InChIKey of 2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one?
The InChIKey is NIGMGMDZBQTWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2/c30-23-24(15-4-3-7-25-22(15)29-23)11-13-8-17-18(9-14(13)12-24)27-20(26-17)10-21-28-16-5-1-2-6-19(16)31-21/h1-9H,10-12H2,(H,26,27)(H,25,29,30).
What are the key properties of 2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one?
2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one has a molecular weight of 407.43 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(1,3-benzoxazol-2-ylmethyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydro-3H-cyclopenta[f]benzimidazole]-2-one is sourced from PubChem (CID 16735523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).