(5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C18H22N4O3S — CID 95725668

IUPAC(5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1ccc(-c2cc(C(=O)N3CCC[C@@]4(CC3)CN(C)C(=O)O4)n[nH]2)s1
InChIInChI=1S/C18H22N4O3S/c1-12-4-5-15(26-12)13-10-14(20-19-13)16(23)22-8-3-6-18(7-9-22)11-21(2)17(24)25-18/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20)/t18-/m1/s1
InChIKeyYUBGCIIGOCQELI-GOSISDBHSA-N
MW374.47 g/mol
LogP2.89
Rot. Bonds2

About (5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 95725668) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is (5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID95725668
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name(5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1ccc(-c2cc(C(=O)N3CCC[C@@]4(CC3)CN(C)C(=O)O4)n[nH]2)s1
InChIInChI=1S/C18H22N4O3S/c1-12-4-5-15(26-12)13-10-14(20-19-13)16(23)22-8-3-6-18(7-9-22)11-21(2)17(24)25-18/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20)/t18-/m1/s1
InChIKeyYUBGCIIGOCQELI-GOSISDBHSA-N
XLogP2.89
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56907295
1-(azepan-1-yl)-2-[4-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 25348298
[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone
CID 70777109
(5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95722297
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 30836006
3-methyl-9-[4-(1H-pyrazol-5-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56889982
(5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99981305
acetic acid;3-methyl-9-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 171707070
(5S)-9-(5-methoxy-3-methyl-1H-indole-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95711524
3-methyl-9-(5-methyl-1H-imidazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56919336
9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56907002
(5S)-3-methyl-9-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724435

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 95725668) is (5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is Cc1ccc(-c2cc(C(=O)N3CCC[C@@]4(CC3)CN(C)C(=O)O4)n[nH]2)s1.
What is the InChIKey of (5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is YUBGCIIGOCQELI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-12-4-5-15(26-12)13-10-14(20-19-13)16(23)22-8-3-6-18(7-9-22)11-21(2)17(24)25-18/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20)/t18-/m1/s1.
What are the key properties of (5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 374.47 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 95725668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).