3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one

C23H21N11O2 — CID 91320169

IUPAC3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one
SMILESO=C1NC(c2cccnn2)C(c2cnccn2)(c2ncccn2)C1(c1ncncn1)N1CCOCC1
InChIInChI=1S/C23H21N11O2/c35-21-23(20-29-14-25-15-30-20,34-9-11-36-12-10-34)22(17-13-24-7-8-26-17,19-27-4-2-5-28-19)18(32-21)16-3-1-6-31-33-16/h1-8,13-15,18H,9-12H2,(H,32,35)
InChIKeyXEICBAYAMIQMBX-UHFFFAOYSA-N
MW483.50 g/mol
LogP-0.37
Rot. Bonds5

About 3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one

3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one (PubChem CID 91320169) has the molecular formula C23H21N11O2 and a molecular weight of 483.50 g/mol. Its IUPAC name is 3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one
PubChem CID91320169
Molecular FormulaC23H21N11O2
Molecular Weight483.50 g/mol
Exact Mass483.19
IUPAC Name3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one
SMILESO=C1NC(c2cccnn2)C(c2cnccn2)(c2ncccn2)C1(c1ncncn1)N1CCOCC1
InChIInChI=1S/C23H21N11O2/c35-21-23(20-29-14-25-15-30-20,34-9-11-36-12-10-34)22(17-13-24-7-8-26-17,19-27-4-2-5-28-19)18(32-21)16-3-1-6-31-33-16/h1-8,13-15,18H,9-12H2,(H,32,35)
InChIKeyXEICBAYAMIQMBX-UHFFFAOYSA-N
XLogP-0.37
TPSA157.58 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.50
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Related Compounds

Morpholino(8-(2-(pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl)methanone
CID 167233000
6-(2-methylpyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one
CID 58093850
8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58094536
6-(2-aminopyrimidin-5-yl)-8-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-2H-2,7-naphthyridin-1-one
CID 66887669
ethyl 2-[5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]pyrazol-1-yl]acetate;6-(2-methylpyrimidin-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66888023
N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide
CID 67517752
9-(4,6-Dimethylpyrimidin-2-yl)-4-[[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 67979871
[8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-yl]-morpholin-4-ylmethanone
CID 69097737
[8-(1-Methylpyrazol-4-yl)-3-[1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-yl]-morpholin-4-ylmethanone
CID 77602913
(2S)-2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide
CID 86303026
2-[[6-(2-methylpyrazol-3-yl)-4-(morpholine-4-carbonyl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide
CID 117668572
1-[1-(2-Methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089236

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one?
The IUPAC name of 3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one (CID 91320169) is 3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one is O=C1NC(c2cccnn2)C(c2cnccn2)(c2ncccn2)C1(c1ncncn1)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one?
The InChIKey is XEICBAYAMIQMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N11O2/c35-21-23(20-29-14-25-15-30-20,34-9-11-36-12-10-34)22(17-13-24-7-8-26-17,19-27-4-2-5-28-19)18(32-21)16-3-1-6-31-33-16/h1-8,13-15,18H,9-12H2,(H,32,35).
What are the key properties of 3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one?
3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one has a molecular weight of 483.50 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-4-pyrazin-2-yl-5-pyridazin-3-yl-4-pyrimidin-2-yl-3-(1,3,5-triazin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 91320169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).