[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

C30H41N5O2 — CID 59818670

IUPAC[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)cc1
InChIInChI=1S/C30H41N5O2/c1-37-22-26-6-3-17-35(26)29(36)24-9-7-23(8-10-24)27-11-12-28(32-31-27)34-20-15-30(16-21-34)13-18-33(19-14-30)25-4-2-5-25/h7-12,25-26H,2-6,13-22H2,1H3/t26-/m0/s1
InChIKeyOAOADQWIVZUAGJ-SANMLTNESA-N
MW503.69 g/mol
LogP4.63
Rot. Bonds6

About [4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 59818670) has the molecular formula C30H41N5O2 and a molecular weight of 503.69 g/mol. Its IUPAC name is [4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID59818670
Molecular FormulaC30H41N5O2
Molecular Weight503.69 g/mol
Exact Mass503.33
IUPAC Name[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)cc1
InChIInChI=1S/C30H41N5O2/c1-37-22-26-6-3-17-35(26)29(36)24-9-7-23(8-10-24)27-11-12-28(32-31-27)34-20-15-30(16-21-34)13-18-33(19-14-30)25-4-2-5-25/h7-12,25-26H,2-6,13-22H2,1H3/t26-/m0/s1
InChIKeyOAOADQWIVZUAGJ-SANMLTNESA-N
XLogP4.63
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.69
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

2-[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]acetaldehyde
CID 87626174
9-cyclobutyl-3-(6-pyrimidin-5-ylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane
CID 24872312
9-cyclobutyl-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
CID 59818870
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(4-pyrimidin-5-ylphenyl)methanone
CID 118775706
3-cyclobutyl-3-azaspiro[5.5]undecane;methyl 4-(6-methylpyridazin-3-yl)benzoate
CID 143579584
9-cyclobutyl-3-[6-(3-propan-2-yloxyphenyl)pyridazin-3-yl]-3,9-diazaspiro[5.5]undecane
CID 59818679
[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 77089273
[4-(6-aminopyrimidin-4-yl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 119059801
3-[6-[3,5-bis(trifluoromethyl)phenyl]pyridazin-3-yl]-9-cyclobutyl-3,9-diazaspiro[5.5]undecane
CID 59818730
[4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 118794181
(4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone
CID 53035074
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902

Frequently Asked Questions

What is the IUPAC name of [4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 59818670) is [4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is COC[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)cc1.
What is the InChIKey of [4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OAOADQWIVZUAGJ-SANMLTNESA-N. The full InChI is InChI=1S/C30H41N5O2/c1-37-22-26-6-3-17-35(26)29(36)24-9-7-23(8-10-24)27-11-12-28(32-31-27)34-20-15-30(16-21-34)13-18-33(19-14-30)25-4-2-5-25/h7-12,25-26H,2-6,13-22H2,1H3/t26-/m0/s1.
What are the key properties of [4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
[4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 503.69 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)pyridazin-3-yl]phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 59818670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).