2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one

C25H27N3O — CID 166461885

IUPAC2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
SMILESCc1cc(-c2cc(-c3cc4c([nH]3)C3(CC3)CNC4=O)ccn2)cc(C)c1C(C)C
InChIInChI=1S/C25H27N3O/c1-14(2)22-15(3)9-18(10-16(22)4)20-11-17(5-8-26-20)21-12-19-23(28-21)25(6-7-25)13-27-24(19)29/h5,8-12,14,28H,6-7,13H2,1-4H3,(H,27,29)
InChIKeyNXXIHFZJAIQIGL-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.26
Rot. Bonds3

About 2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one

2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one (PubChem CID 166461885) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
PubChem CID166461885
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
SMILESCc1cc(-c2cc(-c3cc4c([nH]3)C3(CC3)CNC4=O)ccn2)cc(C)c1C(C)C
InChIInChI=1S/C25H27N3O/c1-14(2)22-15(3)9-18(10-16(22)4)20-11-17(5-8-26-20)21-12-19-23(28-21)25(6-7-25)13-27-24(19)29/h5,8-12,14,28H,6-7,13H2,1-4H3,(H,27,29)
InChIKeyNXXIHFZJAIQIGL-UHFFFAOYSA-N
XLogP5.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one?
The IUPAC name of 2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one (CID 166461885) is 2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one.
What is the SMILES notation for 2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one?
The canonical SMILES for 2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one is Cc1cc(-c2cc(-c3cc4c([nH]3)C3(CC3)CNC4=O)ccn2)cc(C)c1C(C)C.
What is the InChIKey of 2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one?
The InChIKey is NXXIHFZJAIQIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-14(2)22-15(3)9-18(10-16(22)4)20-11-17(5-8-26-20)21-12-19-23(28-21)25(6-7-25)13-27-24(19)29/h5,8-12,14,28H,6-7,13H2,1-4H3,(H,27,29).
What are the key properties of 2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one?
2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one has a molecular weight of 385.51 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-4-propan-2-ylphenyl)-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one is sourced from PubChem (CID 166461885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).