8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C22H21N5O2 — CID 118598595

IUPAC8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESO=C1NC2(CCCCC2)n2c1c(-c1ccccc1)cc(Nc1ccncn1)c2=O
InChIInChI=1S/C22H21N5O2/c28-20-19-16(15-7-3-1-4-8-15)13-17(25-18-9-12-23-14-24-18)21(29)27(19)22(26-20)10-5-2-6-11-22/h1,3-4,7-9,12-14H,2,5-6,10-11H2,(H,26,28)(H,23,24,25)
InChIKeyKPUDPFPDRISOPO-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.41
Rot. Bonds3

About 8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 118598595) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID118598595
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESO=C1NC2(CCCCC2)n2c1c(-c1ccccc1)cc(Nc1ccncn1)c2=O
InChIInChI=1S/C22H21N5O2/c28-20-19-16(15-7-3-1-4-8-15)13-17(25-18-9-12-23-14-24-18)21(29)27(19)22(26-20)10-5-2-6-11-22/h1,3-4,7-9,12-14H,2,5-6,10-11H2,(H,26,28)(H,23,24,25)
InChIKeyKPUDPFPDRISOPO-UHFFFAOYSA-N
XLogP3.41
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 118598595) is 8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is O=C1NC2(CCCCC2)n2c1c(-c1ccccc1)cc(Nc1ccncn1)c2=O.
What is the InChIKey of 8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is KPUDPFPDRISOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-20-19-16(15-7-3-1-4-8-15)13-17(25-18-9-12-23-14-24-18)21(29)27(19)22(26-20)10-5-2-6-11-22/h1,3-4,7-9,12-14H,2,5-6,10-11H2,(H,26,28)(H,23,24,25).
What are the key properties of 8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 387.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 118598595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).