(10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one

C20H32N4O5 — CID 155993041

IUPAC(10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
SMILESCN1CCC2(CCCCN(C(=O)c3ccn[nH]3)CC[C@H](O)[C@H](O)COC2=O)CC1
InChIInChI=1S/C20H32N4O5/c1-23-12-7-20(8-13-23)6-2-3-10-24(18(27)15-4-9-21-22-15)11-5-16(25)17(26)14-29-19(20)28/h4,9,16-17,25-26H,2-3,5-8,10-14H2,1H3,(H,21,22)/t16-,17+/m0/s1
InChIKeyUVTVYHZJMDGQGZ-DLBZAZTESA-N
MW408.50 g/mol
LogP0.40
Rot. Bonds1

About (10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one

(10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one (PubChem CID 155993041) has the molecular formula C20H32N4O5 and a molecular weight of 408.50 g/mol. Its IUPAC name is (10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one.

Molecular Properties

Compound Name(10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
PubChem CID155993041
Molecular FormulaC20H32N4O5
Molecular Weight408.50 g/mol
Exact Mass408.24
IUPAC Name(10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
SMILESCN1CCC2(CCCCN(C(=O)c3ccn[nH]3)CC[C@H](O)[C@H](O)COC2=O)CC1
InChIInChI=1S/C20H32N4O5/c1-23-12-7-20(8-13-23)6-2-3-10-24(18(27)15-4-9-21-22-15)11-5-16(25)17(26)14-29-19(20)28/h4,9,16-17,25-26H,2-3,5-8,10-14H2,1H3,(H,21,22)/t16-,17+/m0/s1
InChIKeyUVTVYHZJMDGQGZ-DLBZAZTESA-N
XLogP0.40
TPSA118.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993044
(10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993561
(10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993059
(10R,11S)-10,11-dihydroxy-14-(3-imidazol-1-ylpropanoyl)-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993559
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
(10R,11S)-3-benzyl-10,11-dihydroxy-14-(3-methylpyridine-4-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993599
(10R,11S)-10,11-dihydroxy-14-(pyridine-4-carbonyl)-3-(pyridin-2-ylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993094
(10R,11S)-3-benzyl-14-(4-fluorobenzoyl)-10,11-dihydroxy-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993116
1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 166600812
(10R,11S)-3-benzyl-10,11-dihydroxy-14-(2-oxo-1H-pyridine-4-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 171688509
(10R,11S)-10,11-dihydroxy-14-(2-methoxyacetyl)-3-(pyridin-4-ylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 110071325
(10R,11S)-10,11-dihydroxy-14-(1H-indole-6-carbonyl)-3-(pyridin-2-ylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993100

Frequently Asked Questions

What is the IUPAC name of (10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?
The IUPAC name of (10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one (CID 155993041) is (10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one.
What is the SMILES notation for (10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?
The canonical SMILES for (10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one is CN1CCC2(CCCCN(C(=O)c3ccn[nH]3)CC[C@H](O)[C@H](O)COC2=O)CC1.
What is the InChIKey of (10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?
The InChIKey is UVTVYHZJMDGQGZ-DLBZAZTESA-N. The full InChI is InChI=1S/C20H32N4O5/c1-23-12-7-20(8-13-23)6-2-3-10-24(18(27)15-4-9-21-22-15)11-5-16(25)17(26)14-29-19(20)28/h4,9,16-17,25-26H,2-3,5-8,10-14H2,1H3,(H,21,22)/t16-,17+/m0/s1.
What are the key properties of (10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?
(10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one has a molecular weight of 408.50 g/mol, XLogP of 0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one is sourced from PubChem (CID 155993041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).