formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H22N6O4 — CID 171325696

IUPACformic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCNc1ncc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)cn1.O=CO
InChIInChI=1S/C22H20N6O2.CH2O2/c1-23-21-25-12-15(13-26-21)19(29)28-10-8-22(18(28)14-5-4-9-24-11-14)16-6-2-3-7-17(16)27-20(22)30;2-1-3/h2-7,9,11-13,18H,8,10H2,1H3,(H,27,30)(H,23,25,26);1H,(H,2,3)
InChIKeyNLIGOWFAGGETHZ-UHFFFAOYSA-N
MW446.47 g/mol
LogP2.09
Rot. Bonds3

About formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 171325696) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Nameformic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID171325696
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC Nameformic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCNc1ncc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)cn1.O=CO
InChIInChI=1S/C22H20N6O2.CH2O2/c1-23-21-25-12-15(13-26-21)19(29)28-10-8-22(18(28)14-5-4-9-24-11-14)16-6-2-3-7-17(16)27-20(22)30;2-1-3/h2-7,9,11-13,18H,8,10H2,1H3,(H,27,30)(H,23,25,26);1H,(H,2,3)
InChIKeyNLIGOWFAGGETHZ-UHFFFAOYSA-N
XLogP2.09
TPSA137.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622722
1'-(2,6-dimethylpyridine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615130
formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171324963
methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate
CID 166620043
1'-(2-oxo-1H-pyridine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613092
1'-(4-methylpyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618568
formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171324888
1'-(2,5-dimethyl-1H-imidazole-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613087
1'-[2-(dimethylamino)pyridine-3-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620776
(2'S,3R)-1'-(2-ethylpyrimidine-5-carbonyl)-2'-(3-methoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171324971
1'-(2-methyl-1,3-oxazole-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614621
1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621931

Frequently Asked Questions

What is the IUPAC name of formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 171325696) is formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CNc1ncc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)cn1.O=CO.
What is the InChIKey of formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is NLIGOWFAGGETHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2.CH2O2/c1-23-21-25-12-15(13-26-21)19(29)28-10-8-22(18(28)14-5-4-9-24-11-14)16-6-2-3-7-17(16)27-20(22)30;2-1-3/h2-7,9,11-13,18H,8,10H2,1H3,(H,27,30)(H,23,25,26);1H,(H,2,3).
What are the key properties of formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 446.47 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 171325696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).