1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine]

C19H19N5 — CID 157013063

IUPAC1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine]
SMILESCn1cnc2cnc(N3CCC4(C=Cc5ccccc54)CC3)nc21
InChIInChI=1S/C19H19N5/c1-23-13-21-16-12-20-18(22-17(16)23)24-10-8-19(9-11-24)7-6-14-4-2-3-5-15(14)19/h2-7,12-13H,8-11H2,1H3
InChIKeyWIJZTJWGCSCTNK-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.93
Rot. Bonds1

About 1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine]

1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine] (PubChem CID 157013063) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine].

Molecular Properties

Compound Name1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine]
PubChem CID157013063
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine]
SMILESCn1cnc2cnc(N3CCC4(C=Cc5ccccc54)CC3)nc21
InChIInChI=1S/C19H19N5/c1-23-13-21-16-12-20-18(22-17(16)23)24-10-8-19(9-11-24)7-6-14-4-2-3-5-15(14)19/h2-7,12-13H,8-11H2,1H3
InChIKeyWIJZTJWGCSCTNK-UHFFFAOYSA-N
XLogP2.93
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine]?
The IUPAC name of 1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine] (CID 157013063) is 1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine].
What is the SMILES notation for 1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine]?
The canonical SMILES for 1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine] is Cn1cnc2cnc(N3CCC4(C=Cc5ccccc54)CC3)nc21.
What is the InChIKey of 1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine]?
The InChIKey is WIJZTJWGCSCTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-23-13-21-16-12-20-18(22-17(16)23)24-10-8-19(9-11-24)7-6-14-4-2-3-5-15(14)19/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine]?
1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine] has a molecular weight of 317.40 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine] is sourced from PubChem (CID 157013063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).