7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

C16H20N4O2 — CID 131640237

IUPAC7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1cc(N2CC3(CCN(Cc4ccco4)C3)CC2=O)cn1
InChIInChI=1S/C16H20N4O2/c1-18-9-13(8-17-18)20-12-16(7-15(20)21)4-5-19(11-16)10-14-3-2-6-22-14/h2-3,6,8-9H,4-5,7,10-12H2,1H3
InChIKeyOQAGMMDMKQBRPC-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.64
Rot. Bonds3

About 7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131640237) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131640237
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1cc(N2CC3(CCN(Cc4ccco4)C3)CC2=O)cn1
InChIInChI=1S/C16H20N4O2/c1-18-9-13(8-17-18)20-12-16(7-15(20)21)4-5-19(11-16)10-14-3-2-6-22-14/h2-3,6,8-9H,4-5,7,10-12H2,1H3
InChIKeyOQAGMMDMKQBRPC-UHFFFAOYSA-N
XLogP1.64
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-9-(1-methylpyrazol-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one
CID 131649133
(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
(5S)-6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97496173
(5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360063
2-(1,3-benzodioxol-5-yl)-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 118741058
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)-7-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373784
(5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97399123
6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118739709
7-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155863142
7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131690695

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131640237) is 7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cn1cc(N2CC3(CCN(Cc4ccco4)C3)CC2=O)cn1.
What is the InChIKey of 7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is OQAGMMDMKQBRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-18-9-13(8-17-18)20-12-16(7-15(20)21)4-5-19(11-16)10-14-3-2-6-22-14/h2-3,6,8-9H,4-5,7,10-12H2,1H3.
What are the key properties of 7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 300.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131640237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).