5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one

C20H26N6O5 — CID 154849739

IUPAC5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1[nH]ncc1C(=O)N1CC2(CN(C(=O)Cc3c(O)nc[nH]c3=O)CC(C)(C)O2)C1
InChIInChI=1S/C20H26N6O5/c1-4-14-13(6-23-24-14)18(30)26-9-20(10-26)8-25(7-19(2,3)31-20)15(27)5-12-16(28)21-11-22-17(12)29/h6,11H,4-5,7-10H2,1-3H3,(H,23,24)(H2,21,22,28,29)
InChIKeyGEZDLYTVEAMCKC-UHFFFAOYSA-N
MW430.47 g/mol
LogP-0.16
Rot. Bonds4

About 5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one

5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 154849739) has the molecular formula C20H26N6O5 and a molecular weight of 430.47 g/mol. Its IUPAC name is 5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID154849739
Molecular FormulaC20H26N6O5
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1[nH]ncc1C(=O)N1CC2(CN(C(=O)Cc3c(O)nc[nH]c3=O)CC(C)(C)O2)C1
InChIInChI=1S/C20H26N6O5/c1-4-14-13(6-23-24-14)18(30)26-9-20(10-26)8-25(7-19(2,3)31-20)15(27)5-12-16(28)21-11-22-17(12)29/h6,11H,4-5,7-10H2,1-3H3,(H,23,24)(H2,21,22,28,29)
InChIKeyGEZDLYTVEAMCKC-UHFFFAOYSA-N
XLogP-0.16
TPSA144.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 126805563

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one (CID 154849739) is 5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one is CCc1[nH]ncc1C(=O)N1CC2(CN(C(=O)Cc3c(O)nc[nH]c3=O)CC(C)(C)O2)C1.
What is the InChIKey of 5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is GEZDLYTVEAMCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O5/c1-4-14-13(6-23-24-14)18(30)26-9-20(10-26)8-25(7-19(2,3)31-20)15(27)5-12-16(28)21-11-22-17(12)29/h6,11H,4-5,7-10H2,1-3H3,(H,23,24)(H2,21,22,28,29).
What are the key properties of 5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one?
5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 430.47 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(5-ethyl-1H-pyrazole-4-carbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 154849739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).