1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]

C25H25N5 — CID 24971385

IUPAC1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]
SMILESc1ccc(Cc2c[nH]c3ncnc(N4CC5(CCNCC5)c5ccccc54)c23)cc1
InChIInChI=1S/C25H25N5/c1-2-6-18(7-3-1)14-19-15-27-23-22(19)24(29-17-28-23)30-16-25(10-12-26-13-11-25)20-8-4-5-9-21(20)30/h1-9,15,17,26H,10-14,16H2,(H,27,28,29)
InChIKeyOVOMREJCQLCUHL-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.32
Rot. Bonds3

About 1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]

1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] (PubChem CID 24971385) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]
PubChem CID24971385
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]
SMILESc1ccc(Cc2c[nH]c3ncnc(N4CC5(CCNCC5)c5ccccc54)c23)cc1
InChIInChI=1S/C25H25N5/c1-2-6-18(7-3-1)14-19-15-27-23-22(19)24(29-17-28-23)30-16-25(10-12-26-13-11-25)20-8-4-5-9-21(20)30/h1-9,15,17,26H,10-14,16H2,(H,27,28,29)
InChIKeyOVOMREJCQLCUHL-UHFFFAOYSA-N
XLogP4.32
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] (CID 24971385) is 1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] is c1ccc(Cc2c[nH]c3ncnc(N4CC5(CCNCC5)c5ccccc54)c23)cc1.
What is the InChIKey of 1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
The InChIKey is OVOMREJCQLCUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-2-6-18(7-3-1)14-19-15-27-23-22(19)24(29-17-28-23)30-16-25(10-12-26-13-11-25)20-8-4-5-9-21(20)30/h1-9,15,17,26H,10-14,16H2,(H,27,28,29).
What are the key properties of 1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] has a molecular weight of 395.51 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 24971385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).