[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

C17H22N6O — CID 95314596

IUPAC[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C17H22N6O/c24-17(15-5-6-16(20-19-15)21-8-1-2-9-21)22-10-3-4-14(12-22)23-11-7-18-13-23/h5-7,11,13-14H,1-4,8-10,12H2/t14-/m1/s1
InChIKeyFYGYMDPQLCNMOU-CQSZACIVSA-N
MW326.40 g/mol
LogP1.75
Rot. Bonds3

About [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (PubChem CID 95314596) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
PubChem CID95314596
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C17H22N6O/c24-17(15-5-6-16(20-19-15)21-8-1-2-9-21)22-10-3-4-14(12-22)23-11-7-18-13-23/h5-7,11,13-14H,1-4,8-10,12H2/t14-/m1/s1
InChIKeyFYGYMDPQLCNMOU-CQSZACIVSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
CID 119381184
(3-ethynylpiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 126821251
[(3R)-3-(methylamino)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124587818
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95382851
5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide
CID 95319281
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
imidazo[1,2-a]pyridin-2-yl-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95350987
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136587543
(5-tert-butyl-1H-pyrazol-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312993
(3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95340985
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 95313622

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (CID 95314596) is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.
What is the SMILES notation for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The canonical SMILES for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is O=C(c1ccc(N2CCCC2)nn1)N1CCC[C@@H](n2ccnc2)C1.
What is the InChIKey of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The InChIKey is FYGYMDPQLCNMOU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N6O/c24-17(15-5-6-16(20-19-15)21-8-1-2-9-21)22-10-3-4-14(12-22)23-11-7-18-13-23/h5-7,11,13-14H,1-4,8-10,12H2/t14-/m1/s1.
What are the key properties of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 95314596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).