1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

C17H23N7O — CID 72927102

IUPAC1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(c1cc(N)ncn1)CC2
InChIInChI=1S/C17H23N7O/c1-2-15(25)24-6-3-12-16(22-10-19-12)17(24)4-7-23(8-5-17)14-9-13(18)20-11-21-14/h9-11H,2-8H2,1H3,(H,19,22)(H2,18,20,21)
InChIKeySLHDIPPAIZBBME-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.07
Rot. Bonds2

About 1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (PubChem CID 72927102) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
PubChem CID72927102
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(c1cc(N)ncn1)CC2
InChIInChI=1S/C17H23N7O/c1-2-15(25)24-6-3-12-16(22-10-19-12)17(24)4-7-23(8-5-17)14-9-13(18)20-11-21-14/h9-11H,2-8H2,1H3,(H,19,22)(H2,18,20,21)
InChIKeySLHDIPPAIZBBME-UHFFFAOYSA-N
XLogP1.07
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The IUPAC name of 1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (CID 72927102) is 1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.
What is the SMILES notation for 1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The canonical SMILES for 1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is CCC(=O)N1CCc2[nH]cnc2C12CCN(c1cc(N)ncn1)CC2.
What is the InChIKey of 1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The InChIKey is SLHDIPPAIZBBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-2-15(25)24-6-3-12-16(22-10-19-12)17(24)4-7-23(8-5-17)14-9-13(18)20-11-21-14/h9-11H,2-8H2,1H3,(H,19,22)(H2,18,20,21).
What are the key properties of 1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one has a molecular weight of 341.42 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(6-aminopyrimidin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is sourced from PubChem (CID 72927102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).