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

C19H21N5 — CID 24971382

IUPAC1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]
SMILESCN1CCC2(CC1)CN(c1ncnc3[nH]ccc13)c1ccccc12
InChIInChI=1S/C19H21N5/c1-23-10-7-19(8-11-23)12-24(16-5-3-2-4-15(16)19)18-14-6-9-20-17(14)21-13-22-18/h2-6,9,13H,7-8,10-12H2,1H3,(H,20,21,22)
InChIKeyPPQBKZIRDIWMOB-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.07
Rot. Bonds1

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

1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] (PubChem CID 24971382) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]
PubChem CID24971382
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]
SMILESCN1CCC2(CC1)CN(c1ncnc3[nH]ccc13)c1ccccc12
InChIInChI=1S/C19H21N5/c1-23-10-7-19(8-11-23)12-24(16-5-3-2-4-15(16)19)18-14-6-9-20-17(14)21-13-22-18/h2-6,9,13H,7-8,10-12H2,1H3,(H,20,21,22)
InChIKeyPPQBKZIRDIWMOB-UHFFFAOYSA-N
XLogP3.07
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] (CID 24971382) is 1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] is CN1CCC2(CC1)CN(c1ncnc3[nH]ccc13)c1ccccc12.
What is the InChIKey of 1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
The InChIKey is PPQBKZIRDIWMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-23-10-7-19(8-11-23)12-24(16-5-3-2-4-15(16)19)18-14-6-9-20-17(14)21-13-22-18/h2-6,9,13H,7-8,10-12H2,1H3,(H,20,21,22).
What are the key properties of 1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] has a molecular weight of 319.41 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 24971382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).