6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride

C17H22ClN7O3 — CID 118598679

IUPAC6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
SMILESCOc1c(N)ncnc1Nc1cc(C)c2n(c1=O)C1(CCNCC1)NC2=O.Cl
InChIInChI=1S/C17H21N7O3.ClH/c1-9-7-10(22-14-12(27-2)13(18)20-8-21-14)16(26)24-11(9)15(25)23-17(24)3-5-19-6-4-17;/h7-8,19H,3-6H2,1-2H3,(H,23,25)(H3,18,20,21,22);1H
InChIKeyMURUWFJXLTXASA-UHFFFAOYSA-N
MW407.86 g/mol
LogP0.48
Rot. Bonds3

About 6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride

6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride (PubChem CID 118598679) has the molecular formula C17H22ClN7O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is 6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride.

Molecular Properties

Compound Name6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
PubChem CID118598679
Molecular FormulaC17H22ClN7O3
Molecular Weight407.86 g/mol
Exact Mass407.15
IUPAC Name6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
SMILESCOc1c(N)ncnc1Nc1cc(C)c2n(c1=O)C1(CCNCC1)NC2=O.Cl
InChIInChI=1S/C17H21N7O3.ClH/c1-9-7-10(22-14-12(27-2)13(18)20-8-21-14)16(26)24-11(9)15(25)23-17(24)3-5-19-6-4-17;/h7-8,19H,3-6H2,1-2H3,(H,23,25)(H3,18,20,21,22);1H
InChIKeyMURUWFJXLTXASA-UHFFFAOYSA-N
XLogP0.48
TPSA136.19 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride?
The IUPAC name of 6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride (CID 118598679) is 6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride.
What is the SMILES notation for 6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride?
The canonical SMILES for 6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride is COc1c(N)ncnc1Nc1cc(C)c2n(c1=O)C1(CCNCC1)NC2=O.Cl.
What is the InChIKey of 6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride?
The InChIKey is MURUWFJXLTXASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O3.ClH/c1-9-7-10(22-14-12(27-2)13(18)20-8-21-14)16(26)24-11(9)15(25)23-17(24)3-5-19-6-4-17;/h7-8,19H,3-6H2,1-2H3,(H,23,25)(H3,18,20,21,22);1H.
What are the key properties of 6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride?
6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride has a molecular weight of 407.86 g/mol, XLogP of 0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride is sourced from PubChem (CID 118598679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).