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

C19H21N5 — CID 11996315

IUPAC1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]
SMILESCc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12
InChIInChI=1S/C19H21N5/c1-13-10-21-17-16(13)18(23-12-22-17)24-11-19(6-8-20-9-7-19)14-4-2-3-5-15(14)24/h2-5,10,12,20H,6-9,11H2,1H3,(H,21,22,23)
InChIKeyARIHYXITNVJHJL-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.04
Rot. Bonds1

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

1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] (PubChem CID 11996315) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]
PubChem CID11996315
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]
SMILESCc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12
InChIInChI=1S/C19H21N5/c1-13-10-21-17-16(13)18(23-12-22-17)24-11-19(6-8-20-9-7-19)14-4-2-3-5-15(14)24/h2-5,10,12,20H,6-9,11H2,1H3,(H,21,22,23)
InChIKeyARIHYXITNVJHJL-UHFFFAOYSA-N
XLogP3.04
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] (CID 11996315) is 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] is Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12.
What is the InChIKey of 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
The InChIKey is ARIHYXITNVJHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-13-10-21-17-16(13)18(23-12-22-17)24-11-19(6-8-20-9-7-19)14-4-2-3-5-15(14)24/h2-5,10,12,20H,6-9,11H2,1H3,(H,21,22,23).
What are the key properties of 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]?
1-(5-methyl-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 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 11996315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).