(2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one

C20H28N6O2 — CID 97269194

IUPAC(2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)Cn1cccn1)CC2
InChIInChI=1S/C20H28N6O2/c1-3-17(27)26-10-5-16-18(22-14-21-16)20(26)6-11-24(12-7-20)19(28)15(2)13-25-9-4-8-23-25/h4,8-9,14-15H,3,5-7,10-13H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyFDSAULKHQZMXQI-HNNXBMFYSA-N
MW384.48 g/mol
LogP1.55
Rot. Bonds4

About (2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one

(2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one (PubChem CID 97269194) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one
PubChem CID97269194
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name(2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)Cn1cccn1)CC2
InChIInChI=1S/C20H28N6O2/c1-3-17(27)26-10-5-16-18(22-14-21-16)20(26)6-11-24(12-7-20)19(28)15(2)13-25-9-4-8-23-25/h4,8-9,14-15H,3,5-7,10-13H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyFDSAULKHQZMXQI-HNNXBMFYSA-N
XLogP1.55
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of (2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one (CID 97269194) is (2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one is CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)Cn1cccn1)CC2.
What is the InChIKey of (2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one?
The InChIKey is FDSAULKHQZMXQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-3-17(27)26-10-5-16-18(22-14-21-16)20(26)6-11-24(12-7-20)19(28)15(2)13-25-9-4-8-23-25/h4,8-9,14-15H,3,5-7,10-13H2,1-2H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one?
(2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one has a molecular weight of 384.48 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 97269194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).