2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid

C19H22N4O3 — CID 146043716

IUPAC2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid
SMILESO=C(O)CN1CCOC2(CCN(c3ccc(-c4ccccc4)nn3)C2)C1
InChIInChI=1S/C19H22N4O3/c24-18(25)12-22-10-11-26-19(13-22)8-9-23(14-19)17-7-6-16(20-21-17)15-4-2-1-3-5-15/h1-7H,8-14H2,(H,24,25)
InChIKeyKUWWOHFSAJCVNH-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.51
Rot. Bonds4

About 2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid

2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid (PubChem CID 146043716) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid
PubChem CID146043716
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid
SMILESO=C(O)CN1CCOC2(CCN(c3ccc(-c4ccccc4)nn3)C2)C1
InChIInChI=1S/C19H22N4O3/c24-18(25)12-22-10-11-26-19(13-22)8-9-23(14-19)17-7-6-16(20-21-17)15-4-2-1-3-5-15/h1-7H,8-14H2,(H,24,25)
InChIKeyKUWWOHFSAJCVNH-UHFFFAOYSA-N
XLogP1.51
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 131935603
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
CID 82167521
2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid
CID 124692791
4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine
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1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3S)-1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 51691251
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640
2-[9-(1-benzothiophen-2-ylsulfonyl)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]acetic acid
CID 146046386
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
9-[6-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 68557228
1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 131943319
4'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413446

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid?
The IUPAC name of 2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid (CID 146043716) is 2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid.
What is the SMILES notation for 2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid?
The canonical SMILES for 2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid is O=C(O)CN1CCOC2(CCN(c3ccc(-c4ccccc4)nn3)C2)C1.
What is the InChIKey of 2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid?
The InChIKey is KUWWOHFSAJCVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18(25)12-22-10-11-26-19(13-22)8-9-23(14-19)17-7-6-16(20-21-17)15-4-2-1-3-5-15/h1-7H,8-14H2,(H,24,25).
What are the key properties of 2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid?
2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid has a molecular weight of 354.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid is sourced from PubChem (CID 146043716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).