(2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one

C19H28N6O — CID 97117172

IUPAC(2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one
SMILESCCN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)n1cc(C)cn1)CC2
InChIInChI=1S/C19H28N6O/c1-4-24-8-5-16-17(21-13-20-16)19(24)6-9-23(10-7-19)18(26)15(3)25-12-14(2)11-22-25/h11-13,15H,4-10H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyUIUREWJBNMCBKV-OAHLLOKOSA-N
MW356.47 g/mol
LogP1.87
Rot. Bonds3

About (2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one

(2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 97117172) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is (2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID97117172
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name(2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one
SMILESCCN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)n1cc(C)cn1)CC2
InChIInChI=1S/C19H28N6O/c1-4-24-8-5-16-17(21-13-20-16)19(24)6-9-23(10-7-19)18(26)15(3)25-12-14(2)11-22-25/h11-13,15H,4-10H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyUIUREWJBNMCBKV-OAHLLOKOSA-N
XLogP1.87
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of (2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one (CID 97117172) is (2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for (2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one is CCN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)n1cc(C)cn1)CC2.
What is the InChIKey of (2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is UIUREWJBNMCBKV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N6O/c1-4-24-8-5-16-17(21-13-20-16)19(24)6-9-23(10-7-19)18(26)15(3)25-12-14(2)11-22-25/h11-13,15H,4-10H2,1-3H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one?
(2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 356.47 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 97117172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).