morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone

C22H20N4O2 — CID 97407496

IUPACmorpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1)N1CCOCC1
InChIInChI=1S/C22H20N4O2/c27-22(24-12-14-28-15-13-24)20-10-11-26(23-20)21-9-8-19-7-6-18(16-25(19)21)17-4-2-1-3-5-17/h1-11,16H,12-15H2
InChIKeyAFGOFSMTNLWAKG-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.26
Rot. Bonds3

About morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone

morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone (PubChem CID 97407496) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone
PubChem CID97407496
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Namemorpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1)N1CCOCC1
InChIInChI=1S/C22H20N4O2/c27-22(24-12-14-28-15-13-24)20-10-11-26(23-20)21-9-8-19-7-6-18(16-25(19)21)17-4-2-1-3-5-17/h1-11,16H,12-15H2
InChIKeyAFGOFSMTNLWAKG-UHFFFAOYSA-N
XLogP3.26
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 97447392
[1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97362180
N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362092
[1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 43475408
[1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 43475319
1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447325
N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 97407502
1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118745480
3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid
CID 19623576
N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97410713
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641
N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362117

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone (CID 97407496) is morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone is O=C(c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone?
The InChIKey is AFGOFSMTNLWAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-22(24-12-14-28-15-13-24)20-10-11-26(23-20)21-9-8-19-7-6-18(16-25(19)21)17-4-2-1-3-5-17/h1-11,16H,12-15H2.
What are the key properties of morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone?
morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone has a molecular weight of 372.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone is sourced from PubChem (CID 97407496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).