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

C16H18N4O2S — CID 131648158

IUPAC2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCn1cc(N2CCC3(CCN(C(=O)c4cccs4)C3)C2=O)cn1
InChIInChI=1S/C16H18N4O2S/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/h2-3,8-10H,4-7,11H2,1H3
InChIKeyAJNSIXGUTQIGQG-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.75
Rot. Bonds2

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

2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131648158) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID131648158
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCn1cc(N2CCC3(CCN(C(=O)c4cccs4)C3)C2=O)cn1
InChIInChI=1S/C16H18N4O2S/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/h2-3,8-10H,4-7,11H2,1H3
InChIKeyAJNSIXGUTQIGQG-UHFFFAOYSA-N
XLogP1.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-9-(1-methylpyrazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490395
6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155824930
7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131642608
2-(1-methylpyrazol-4-yl)-7-(oxane-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131660715
(5S)-9-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490391
2-(1-methylpyrazol-4-yl)-7-[(2S)-oxolane-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 133145210
8-(3-fluorobenzoyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 155901290
2-(2-methylpyrazol-3-yl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155865320
8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449934
[9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-thiophen-2-ylmethanone
CID 97370689
(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 122269158
3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731719

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 131648158) is 2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is Cn1cc(N2CCC3(CCN(C(=O)c4cccs4)C3)C2=O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is AJNSIXGUTQIGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/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/h2-3,8-10H,4-7,11H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
2-(1-methylpyrazol-4-yl)-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 330.41 g/mol, XLogP of 1.75, 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-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131648158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).