2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one

C16H22N4O3 — CID 133145210

IUPAC2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCn1cc(N2CCC3(CCN(C(=O)[C@@H]4CCCO4)C3)C2=O)cn1
InChIInChI=1S/C16H22N4O3/c1-18-10-12(9-17-18)20-7-5-16(15(20)22)4-6-19(11-16)14(21)13-3-2-8-23-13/h9-10,13H,2-8,11H2,1H3/t13-,16?/m0/s1
InChIKeyNZPMEKDDDBFHMA-KNVGNIICSA-N
MW318.38 g/mol
LogP0.55
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one

2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 133145210) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID133145210
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCn1cc(N2CCC3(CCN(C(=O)[C@@H]4CCCO4)C3)C2=O)cn1
InChIInChI=1S/C16H22N4O3/c1-18-10-12(9-17-18)20-7-5-16(15(20)22)4-6-19(11-16)14(21)13-3-2-8-23-13/h9-10,13H,2-8,11H2,1H3/t13-,16?/m0/s1
InChIKeyNZPMEKDDDBFHMA-KNVGNIICSA-N
XLogP0.55
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)-7-(oxane-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131660715
(5S)-9-(1-methylpyrazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490395
7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131642608
(5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490391
(5S)-9-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97372070
2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131648158
2-(1-methylpyrazol-4-yl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131651201
8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449934
(5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156474
3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731713
8-(3-fluorobenzoyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 155901290
2-(1-methylpyrazol-4-yl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155824750

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 133145210) is 2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one is Cn1cc(N2CCC3(CCN(C(=O)[C@@H]4CCCO4)C3)C2=O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is NZPMEKDDDBFHMA-KNVGNIICSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-18-10-12(9-17-18)20-7-5-16(15(20)22)4-6-19(11-16)14(21)13-3-2-8-23-13/h9-10,13H,2-8,11H2,1H3/t13-,16?/m0/s1.
What are the key properties of 2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one?
2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 318.38 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 133145210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).