[(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone

C18H24N6O2 — CID 97384903

IUPAC[(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone
SMILESCn1ccnc1CN1CC[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1
InChIInChI=1S/C18H24N6O2/c1-22-7-5-19-16(22)11-23-6-3-18(12-23)13-24(8-9-26-14-18)17(25)15-2-4-20-21-10-15/h2,4-5,7,10H,3,6,8-9,11-14H2,1H3/t18-/m0/s1
InChIKeyYAAMFBXLEMXCET-SFHVURJKSA-N
MW356.43 g/mol
LogP0.57
Rot. Bonds3

About [(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone

[(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone (PubChem CID 97384903) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone
PubChem CID97384903
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name[(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone
SMILESCn1ccnc1CN1CC[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1
InChIInChI=1S/C18H24N6O2/c1-22-7-5-19-16(22)11-23-6-3-18(12-23)13-24(8-9-26-14-18)17(25)15-2-4-20-21-10-15/h2,4-5,7,10H,3,6,8-9,11-14H2,1H3/t18-/m0/s1
InChIKeyYAAMFBXLEMXCET-SFHVURJKSA-N
XLogP0.57
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone (CID 97384903) is [(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone is Cn1ccnc1CN1CC[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1.
What is the InChIKey of [(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone?
The InChIKey is YAAMFBXLEMXCET-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-22-7-5-19-16(22)11-23-6-3-18(12-23)13-24(8-9-26-14-18)17(25)15-2-4-20-21-10-15/h2,4-5,7,10H,3,6,8-9,11-14H2,1H3/t18-/m0/s1.
What are the key properties of [(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone?
[(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone has a molecular weight of 356.43 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97384903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).