1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-yl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

C20H29N7O — CID 72924409

IUPAC1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-yl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(c1ncc(C)c(N(C)C)n1)CC2
InChIInChI=1S/C20H29N7O/c1-5-16(28)27-9-6-15-17(23-13-22-15)20(27)7-10-26(11-8-20)19-21-12-14(2)18(24-19)25(3)4/h12-13H,5-11H2,1-4H3,(H,22,23)
InChIKeyYUQAGKXJMHSMKK-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.86
Rot. Bonds3

About 1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-yl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-yl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (PubChem CID 72924409) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-yl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-yl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
PubChem CID72924409
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-yl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(c1ncc(C)c(N(C)C)n1)CC2
InChIInChI=1S/C20H29N7O/c1-5-16(28)27-9-6-15-17(23-13-22-15)20(27)7-10-26(11-8-20)19-21-12-14(2)18(24-19)25(3)4/h12-13H,5-11H2,1-4H3,(H,22,23)
InChIKeyYUQAGKXJMHSMKK-UHFFFAOYSA-N
XLogP1.86
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-yl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-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'-[4-(dimethylamino)-5-methylpyrimidin-2-yl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (CID 72924409) is 1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-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'-[4-(dimethylamino)-5-methylpyrimidin-2-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'-[4-(dimethylamino)-5-methylpyrimidin-2-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(c1ncc(C)c(N(C)C)n1)CC2.
What is the InChIKey of 1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-yl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The InChIKey is YUQAGKXJMHSMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-5-16(28)27-9-6-15-17(23-13-22-15)20(27)7-10-26(11-8-20)19-21-12-14(2)18(24-19)25(3)4/h12-13H,5-11H2,1-4H3,(H,22,23).
What are the key properties of 1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-yl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-yl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one has a molecular weight of 383.50 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-yl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is sourced from PubChem (CID 72924409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).