(5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one

C16H16N4O3 — CID 97374104

IUPAC(5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(c1ccoc1)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1
InChIInChI=1S/C16H16N4O3/c21-14-5-16(10-20(14)13-6-17-11-18-7-13)2-3-19(9-16)15(22)12-1-4-23-8-12/h1,4,6-8,11H,2-3,5,9-10H2/t16-/m1/s1
InChIKeyWEONUIQRNLYXCM-MRXNPFEDSA-N
MW312.33 g/mol
LogP1.34
Rot. Bonds2

About (5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one

(5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97374104) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is (5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97374104
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name(5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(c1ccoc1)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1
InChIInChI=1S/C16H16N4O3/c21-14-5-16(10-20(14)13-6-17-11-18-7-13)2-3-19(9-16)15(22)12-1-4-23-8-12/h1,4,6-8,11H,2-3,5,9-10H2/t16-/m1/s1
InChIKeyWEONUIQRNLYXCM-MRXNPFEDSA-N
XLogP1.34
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one with MolForge

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Related Compounds

7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131679795
2-(3-fluorophenyl)-7-(furan-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131642152
1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472729
(5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373414
7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131639386
furan-3-yl-[2-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97472726
2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 159717779
(5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97398981
(6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97121102
(5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97399123
7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 134073213
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 (5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one (CID 97374104) is (5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one is O=C(c1ccoc1)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1.
What is the InChIKey of (5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is WEONUIQRNLYXCM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-14-5-16(10-20(14)13-6-17-11-18-7-13)2-3-19(9-16)15(22)12-1-4-23-8-12/h1,4,6-8,11H,2-3,5,9-10H2/t16-/m1/s1.
What are the key properties of (5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
(5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 312.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97374104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).