(5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one

C19H25N5O3 — CID 97373683

IUPAC(5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1ccc(C)o1)C2
InChIInChI=1S/C19H25N5O3/c1-14-4-5-17(27-14)10-22-7-6-19(12-22)13-23(16-8-20-21(3)9-16)18(26)11-24(19)15(2)25/h4-5,8-9H,6-7,10-13H2,1-3H3/t19-/m1/s1
InChIKeyUXJNBVAPMKHNEI-LJQANCHMSA-N
MW371.44 g/mol
LogP1.16
Rot. Bonds3

About (5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one

(5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 97373683) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID97373683
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name(5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1ccc(C)o1)C2
InChIInChI=1S/C19H25N5O3/c1-14-4-5-17(27-14)10-22-7-6-19(12-22)13-23(16-8-20-21(3)9-16)18(26)11-24(19)15(2)25/h4-5,8-9H,6-7,10-13H2,1-3H3/t19-/m1/s1
InChIKeyUXJNBVAPMKHNEI-LJQANCHMSA-N
XLogP1.16
TPSA74.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373455
6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118739709
6-acetyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131644928
(5R)-6-acetyl-2-[(4-methoxyphenyl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373688
6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118743303
(5R)-6-acetyl-2-[(4-fluorophenyl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373686
6-acetyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131651998
(5R)-7-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373784
(5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 97373735
6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131638656
(5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97496157
(5R)-6-acetyl-9-(1-methylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373737

Frequently Asked Questions

What is the IUPAC name of (5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of (5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 97373683) is (5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for (5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for (5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one is CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1ccc(C)o1)C2.
What is the InChIKey of (5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is UXJNBVAPMKHNEI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-14-4-5-17(27-14)10-22-7-6-19(12-22)13-23(16-8-20-21(3)9-16)18(26)11-24(19)15(2)25/h4-5,8-9H,6-7,10-13H2,1-3H3/t19-/m1/s1.
What are the key properties of (5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
(5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 371.44 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 97373683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).