1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone

C19H26N6O3 — CID 72940082

IUPAC1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
SMILESCCn1nccc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC
InChIInChI=1S/C19H26N6O3/c1-3-25-15(4-8-22-25)18(27)23-10-6-19(7-11-23)17-14(20-13-21-17)5-9-24(19)16(26)12-28-2/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,20,21)
InChIKeyAEWURAQVFZWDTM-UHFFFAOYSA-N
MW386.46 g/mol
LogP0.79
Rot. Bonds4

About 1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone

1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone (PubChem CID 72940082) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
PubChem CID72940082
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
SMILESCCn1nccc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC
InChIInChI=1S/C19H26N6O3/c1-3-25-15(4-8-22-25)18(27)23-10-6-19(7-11-23)17-14(20-13-21-17)5-9-24(19)16(26)12-28-2/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,20,21)
InChIKeyAEWURAQVFZWDTM-UHFFFAOYSA-N
XLogP0.79
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?
The IUPAC name of 1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone (CID 72940082) is 1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?
The canonical SMILES for 1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone is CCn1nccc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC.
What is the InChIKey of 1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?
The InChIKey is AEWURAQVFZWDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-3-25-15(4-8-22-25)18(27)23-10-6-19(7-11-23)17-14(20-13-21-17)5-9-24(19)16(26)12-28-2/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,20,21).
What are the key properties of 1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?
1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone has a molecular weight of 386.46 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone is sourced from PubChem (CID 72940082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).