[1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone

C20H24N6O3 — CID 131645690

IUPAC[1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC2(CC1)OC(C(=O)N1CCCC1)Cn1ccnc12
InChIInChI=1S/C20H24N6O3/c27-17(15-3-6-22-23-13-15)25-10-4-20(5-11-25)19-21-7-12-26(19)14-16(29-20)18(28)24-8-1-2-9-24/h3,6-7,12-13,16H,1-2,4-5,8-11,14H2
InChIKeyBQWPNFISBAQVEX-UHFFFAOYSA-N
MW396.45 g/mol
LogP0.83
Rot. Bonds2

About [1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone

[1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 131645690) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is [1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID131645690
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name[1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC2(CC1)OC(C(=O)N1CCCC1)Cn1ccnc12
InChIInChI=1S/C20H24N6O3/c27-17(15-3-6-22-23-13-15)25-10-4-20(5-11-25)19-21-7-12-26(19)14-16(29-20)18(28)24-8-1-2-9-24/h3,6-7,12-13,16H,1-2,4-5,8-11,14H2
InChIKeyBQWPNFISBAQVEX-UHFFFAOYSA-N
XLogP0.83
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 97390278
N,N-diethyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155824379
[(6R)-1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
CID 97360867
[(6S)-1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
CID 97360868
[(6R)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
CID 97360869
[(6S)-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
CID 97360870
(6S)-N,N-diethyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360917
(6R)-N,N-diethyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360918
[(4aR,7aS)-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyridazin-4-ylmethanone
CID 97377533
[(5R)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone
CID 97384902
[(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone
CID 97384903
(6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97385146

Frequently Asked Questions

What is the IUPAC name of [1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone (CID 131645690) is [1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccnnc1)N1CCC2(CC1)OC(C(=O)N1CCCC1)Cn1ccnc12.
What is the InChIKey of [1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BQWPNFISBAQVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c27-17(15-3-6-22-23-13-15)25-10-4-20(5-11-25)19-21-7-12-26(19)14-16(29-20)18(28)24-8-1-2-9-24/h3,6-7,12-13,16H,1-2,4-5,8-11,14H2.
What are the key properties of [1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone?
[1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 396.45 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131645690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).