1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one

C26H24N4O — CID 168805702

IUPAC1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one
SMILESCN1CCC2(CC1)CC(=O)c1ccc(-c3c[nH]c4ncc(-c5cccnc5)cc34)cc12
InChIInChI=1S/C26H24N4O/c1-30-9-6-26(7-10-30)13-24(31)20-5-4-17(12-23(20)26)22-16-29-25-21(22)11-19(15-28-25)18-3-2-8-27-14-18/h2-5,8,11-12,14-16H,6-7,9-10,13H2,1H3,(H,28,29)
InChIKeyZXTFJJFNUMRJCO-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.84
Rot. Bonds2

About 1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one

1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one (PubChem CID 168805702) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one
PubChem CID168805702
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one
SMILESCN1CCC2(CC1)CC(=O)c1ccc(-c3c[nH]c4ncc(-c5cccnc5)cc34)cc12
InChIInChI=1S/C26H24N4O/c1-30-9-6-26(7-10-30)13-24(31)20-5-4-17(12-23(20)26)22-16-29-25-21(22)11-19(15-28-25)18-3-2-8-27-14-18/h2-5,8,11-12,14-16H,6-7,9-10,13H2,1H3,(H,28,29)
InChIKeyZXTFJJFNUMRJCO-UHFFFAOYSA-N
XLogP4.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11581661
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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one?
The IUPAC name of 1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one (CID 168805702) is 1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one is CN1CCC2(CC1)CC(=O)c1ccc(-c3c[nH]c4ncc(-c5cccnc5)cc34)cc12.
What is the InChIKey of 1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one?
The InChIKey is ZXTFJJFNUMRJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-30-9-6-26(7-10-30)13-24(31)20-5-4-17(12-23(20)26)22-16-29-25-21(22)11-19(15-28-25)18-3-2-8-27-14-18/h2-5,8,11-12,14-16H,6-7,9-10,13H2,1H3,(H,28,29).
What are the key properties of 1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one?
1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one has a molecular weight of 408.51 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one is sourced from PubChem (CID 168805702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).