(5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C18H26N4O2 — CID 97121098

IUPAC(5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1ccc(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1
InChIInChI=1S/C18H26N4O2/c1-20-10-6-15(19-20)16(23)22-11-8-18(13-22)7-3-9-21(17(18)24)12-14-4-2-5-14/h6,10,14H,2-5,7-9,11-13H2,1H3/t18-/m0/s1
InChIKeyUFOUJEIQAFNZCW-SFHVURJKSA-N
MW330.43 g/mol
LogP1.67
Rot. Bonds3

About (5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97121098) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97121098
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1ccc(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1
InChIInChI=1S/C18H26N4O2/c1-20-10-6-15(19-20)16(23)22-11-8-18(13-22)7-3-9-21(17(18)24)12-14-4-2-5-14/h6,10,14H,2-5,7-9,11-13H2,1H3/t18-/m0/s1
InChIKeyUFOUJEIQAFNZCW-SFHVURJKSA-N
XLogP1.67
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US11142526, Example 79
CID 137533029
N-[(1-cyclopentyl-3-piperidinyl)methyl]-1-methyl-N-[2-(1-piperidinyl)ethyl]-1H-pyrazole-5-carboxamide
CID 24819489
3-methyl-4-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217936
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
2-[2-(dimethylamino)ethyl]-9-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850435
2-Cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72907096
[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875994
[(2S,4S)-1-(2-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875996
[(2S,4S)-1-(1-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875997
2-Ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738748
9-(2-Methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 118739526
5-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201708

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97121098) is (5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cn1ccc(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1.
What is the InChIKey of (5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is UFOUJEIQAFNZCW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-20-10-6-15(19-20)16(23)22-11-8-18(13-22)7-3-9-21(17(18)24)12-14-4-2-5-14/h6,10,14H,2-5,7-9,11-13H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 330.43 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclobutylmethyl)-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97121098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).