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

C18H27N5O5 — CID 171707070

IUPACacetic 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
SMILESCC(=O)O.CN1CC2(CCCN(C(=O)c3n[nH]c4c3CCNC4)CC2)OC1=O
InChIInChI=1S/C16H23N5O3.C2H4O2/c1-20-10-16(24-15(20)23)4-2-7-21(8-5-16)14(22)13-11-3-6-17-9-12(11)18-19-13;1-2(3)4/h17H,2-10H2,1H3,(H,18,19);1H3,(H,3,4)
InChIKeyRYNCZIJWXMLWLH-UHFFFAOYSA-N
MW393.44 g/mol
LogP0.59
Rot. Bonds1

About 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

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 (PubChem CID 171707070) has the molecular formula C18H27N5O5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameacetic 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
PubChem CID171707070
Molecular FormulaC18H27N5O5
Molecular Weight393.44 g/mol
Exact Mass393.20
IUPAC Nameacetic 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
SMILESCC(=O)O.CN1CC2(CCCN(C(=O)c3n[nH]c4c3CCNC4)CC2)OC1=O
InChIInChI=1S/C16H23N5O3.C2H4O2/c1-20-10-16(24-15(20)23)4-2-7-21(8-5-16)14(22)13-11-3-6-17-9-12(11)18-19-13;1-2(3)4/h17H,2-10H2,1H3,(H,18,19);1H3,(H,3,4)
InChIKeyRYNCZIJWXMLWLH-UHFFFAOYSA-N
XLogP0.59
TPSA127.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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
(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
(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
3-fluoro-5-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carbonyl]benzonitrile
CID 95713207
3-methyl-9-(5-methyl-1H-imidazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56919336
(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 95713099
[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 56902410
6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 77094615
3-methyl-9-[4-(1H-pyrazol-5-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56889982
(5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95707112
(5S)-3-methyl-9-[3-(pyrazol-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95723493
4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 165423746

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)O.CN1CC2(CCCN(C(=O)c3n[nH]c4c3CCNC4)CC2)OC1=O.
What is the InChIKey of 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?
The InChIKey is RYNCZIJWXMLWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3.C2H4O2/c1-20-10-16(24-15(20)23)4-2-7-21(8-5-16)14(22)13-11-3-6-17-9-12(11)18-19-13;1-2(3)4/h17H,2-10H2,1H3,(H,18,19);1H3,(H,3,4).
What are the key properties of 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?
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 has a molecular weight of 393.44 g/mol, XLogP of 0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171707070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).