1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine]

C22H22N4O — CID 127922419

IUPAC1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine]
SMILESCc1cc(N2CCCC3(C2)OCc2ccccc23)nc(-c2ccccn2)n1
InChIInChI=1S/C22H22N4O/c1-16-13-20(25-21(24-16)19-9-4-5-11-23-19)26-12-6-10-22(15-26)18-8-3-2-7-17(18)14-27-22/h2-5,7-9,11,13H,6,10,12,14-15H2,1H3
InChIKeyAXECFNDUCCIURL-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.87
Rot. Bonds2

About 1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine]

1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine] (PubChem CID 127922419) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine].

Molecular Properties

Compound Name1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine]
PubChem CID127922419
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine]
SMILESCc1cc(N2CCCC3(C2)OCc2ccccc23)nc(-c2ccccn2)n1
InChIInChI=1S/C22H22N4O/c1-16-13-20(25-21(24-16)19-9-4-5-11-23-19)26-12-6-10-22(15-26)18-8-3-2-7-17(18)14-27-22/h2-5,7-9,11,13H,6,10,12,14-15H2,1H3
InChIKeyAXECFNDUCCIURL-UHFFFAOYSA-N
XLogP3.87
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine] with MolForge

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Related Compounds

4-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-thiazepane
CID 166200680
4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine
CID 126819355
(3R)-1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-azepane]
CID 59320735
1'-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 154743570
1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 175717906
[1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid
CID 67136127
(5Z)-5-[1-(2-methyl-4-pyridinyl)ethylidene]-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one
CID 130377551
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-(6-methylpyridazin-3-yl)-1,4-diazepane
CID 133294829
1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 86733482
4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
CID 155901264
1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10036300
8-[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112922838

Frequently Asked Questions

What is the IUPAC name of 1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine]?
The IUPAC name of 1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine] (CID 127922419) is 1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine].
What is the SMILES notation for 1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine]?
The canonical SMILES for 1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine] is Cc1cc(N2CCCC3(C2)OCc2ccccc23)nc(-c2ccccn2)n1.
What is the InChIKey of 1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine]?
The InChIKey is AXECFNDUCCIURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-13-20(25-21(24-16)19-9-4-5-11-23-19)26-12-6-10-22(15-26)18-8-3-2-7-17(18)14-27-22/h2-5,7-9,11,13H,6,10,12,14-15H2,1H3.
What are the key properties of 1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine]?
1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine] has a molecular weight of 358.45 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)spiro[1H-2-benzofuran-3,3'-piperidine] is sourced from PubChem (CID 127922419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).