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

C18H22N6O3 — CID 163534048

IUPAC1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCN(C(C)O)CC1
InChIInChI=1S/C18H22N6O3/c1-11-9-13(21-14-3-6-19-10-20-14)17(27)24-15(11)16(26)22-18(24)4-7-23(8-5-18)12(2)25/h3,6,9-10,12,25H,4-5,7-8H2,1-2H3,(H,22,26)(H,19,20,21)
InChIKeyDVLISORLNYQURJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.52
Rot. Bonds3

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

1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 163534048) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

Compound Name1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
PubChem CID163534048
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCN(C(C)O)CC1
InChIInChI=1S/C18H22N6O3/c1-11-9-13(21-14-3-6-19-10-20-14)17(27)24-15(11)16(26)22-18(24)4-7-23(8-5-18)12(2)25/h3,6,9-10,12,25H,4-5,7-8H2,1-2H3,(H,22,26)(H,19,20,21)
InChIKeyDVLISORLNYQURJ-UHFFFAOYSA-N
XLogP0.52
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The IUPAC name of 1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 163534048) is 1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.
What is the SMILES notation for 1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The canonical SMILES for 1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCN(C(C)O)CC1.
What is the InChIKey of 1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The InChIKey is DVLISORLNYQURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-11-9-13(21-14-3-6-19-10-20-14)17(27)24-15(11)16(26)22-18(24)4-7-23(8-5-18)12(2)25/h3,6,9-10,12,25H,4-5,7-8H2,1-2H3,(H,22,26)(H,19,20,21).
What are the key properties of 1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione has a molecular weight of 370.41 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 163534048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).