3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one

C22H27N7O2 — CID 123910315

IUPAC3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
SMILESC=C1C=C(N2C(=O)C3(CCC(NCc4ccc(-n5cnnn5)nc4)CC3)CC2C)CO1
InChIInChI=1S/C22H27N7O2/c1-15-10-22(21(30)29(15)19-9-16(2)31-13-19)7-5-18(6-8-22)23-11-17-3-4-20(24-12-17)28-14-25-26-27-28/h3-4,9,12,14-15,18,23H,2,5-8,10-11,13H2,1H3
InChIKeyIDLPHDINOOMLKQ-UHFFFAOYSA-N
MW421.51 g/mol
LogP2.12
Rot. Bonds5

About 3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one

3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one (PubChem CID 123910315) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
PubChem CID123910315
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
SMILESC=C1C=C(N2C(=O)C3(CCC(NCc4ccc(-n5cnnn5)nc4)CC3)CC2C)CO1
InChIInChI=1S/C22H27N7O2/c1-15-10-22(21(30)29(15)19-9-16(2)31-13-19)7-5-18(6-8-22)23-11-17-3-4-20(24-12-17)28-14-25-26-27-28/h3-4,9,12,14-15,18,23H,2,5-8,10-11,13H2,1H3
InChIKeyIDLPHDINOOMLKQ-UHFFFAOYSA-N
XLogP2.12
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one with MolForge

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Related Compounds

(3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 118233005
(1R,4R,8S)-4-methyl-3-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-3-azatricyclo[4.4.0.01,5]decan-2-one
CID 144885521
4-methyl-3-(5-oxo-2H-furan-3-yl)-1-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]piperidin-4-yl]imidazolidin-2-one
CID 134181479
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]amino]-2-azaspiro[4.5]decan-1-one
CID 118233011
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 118233012
N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 144885529
3-cyclopropyl-8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 135184194
3-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 145069969
3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
CID 123329735
4-methyl-3-[9-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2H-furan-5-one
CID 144877180
3-[9-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2H-furan-5-one
CID 123809951
N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 55078600

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one (CID 123910315) is 3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one is C=C1C=C(N2C(=O)C3(CCC(NCc4ccc(-n5cnnn5)nc4)CC3)CC2C)CO1.
What is the InChIKey of 3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one?
The InChIKey is IDLPHDINOOMLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-15-10-22(21(30)29(15)19-9-16(2)31-13-19)7-5-18(6-8-22)23-11-17-3-4-20(24-12-17)28-14-25-26-27-28/h3-4,9,12,14-15,18,23H,2,5-8,10-11,13H2,1H3.
What are the key properties of 3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one?
3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one has a molecular weight of 421.51 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-methylidene-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 123910315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).