2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile

C19H16N6O4 — CID 137266944

IUPAC2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile
SMILESN#CC1C(=O)NC2=NC(N3CCOCC3)=NC(=O)C2C12C(=O)Nc1ccccc12
InChIInChI=1S/C19H16N6O4/c20-9-11-15(26)22-14-13(16(27)24-18(23-14)25-5-7-29-8-6-25)19(11)10-3-1-2-4-12(10)21-17(19)28/h1-4,11,13H,5-8H2,(H,21,28)(H,22,23,24,26,27)
InChIKeyIJXOEZYVYDDFBR-UHFFFAOYSA-N
MW392.38 g/mol
LogP-0.61
Rot. Bonds

About 2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile

2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile (PubChem CID 137266944) has the molecular formula C19H16N6O4 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile.

Molecular Properties

Compound Name2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile
PubChem CID137266944
Molecular FormulaC19H16N6O4
Molecular Weight392.38 g/mol
Exact Mass392.12
IUPAC Name2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile
SMILESN#CC1C(=O)NC2=NC(N3CCOCC3)=NC(=O)C2C12C(=O)Nc1ccccc12
InChIInChI=1S/C19H16N6O4/c20-9-11-15(26)22-14-13(16(27)24-18(23-14)25-5-7-29-8-6-25)19(11)10-3-1-2-4-12(10)21-17(19)28/h1-4,11,13H,5-8H2,(H,21,28)(H,22,23,24,26,27)
InChIKeyIJXOEZYVYDDFBR-UHFFFAOYSA-N
XLogP-0.61
TPSA136.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-oxo-3-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-yl)-1H-indol-3-yl]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 12035129
1'-(morpholine-4-carbonyl)spiro[1H-indole-3,3'-azetidine]-2-one
CID 126545042
(1'S,4'R)-2-oxospiro[1H-indole-3,3'-bicyclo[2.2.1]hept-5-ene]-2'-carbonitrile
CID 127053093
1'-(oxetan-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 141437837
2-morpholin-4-yl-4,7-dioxo-5-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 135646520
3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90901453
1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
CID 15366590
2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile
CID 139214645
1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
CID 15366589
(3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
CID 124872060
(3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
CID 124872105
3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one
CID 90089302

Frequently Asked Questions

What is the IUPAC name of 2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile?
The IUPAC name of 2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile (CID 137266944) is 2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile.
What is the SMILES notation for 2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile?
The canonical SMILES for 2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile is N#CC1C(=O)NC2=NC(N3CCOCC3)=NC(=O)C2C12C(=O)Nc1ccccc12.
What is the InChIKey of 2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile?
The InChIKey is IJXOEZYVYDDFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O4/c20-9-11-15(26)22-14-13(16(27)24-18(23-14)25-5-7-29-8-6-25)19(11)10-3-1-2-4-12(10)21-17(19)28/h1-4,11,13H,5-8H2,(H,21,28)(H,22,23,24,26,27).
What are the key properties of 2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile?
2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile has a molecular weight of 392.38 g/mol, XLogP of -0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile is sourced from PubChem (CID 137266944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).