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

C22H21N5O4 — CID 171324963

IUPACformic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1cc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)n[nH]1.O=CO
InChIInChI=1S/C21H19N5O2.CH2O2/c1-13-11-17(25-24-13)19(27)26-10-8-21(18(26)14-5-4-9-22-12-14)15-6-2-3-7-16(15)23-20(21)28;2-1-3/h2-7,9,11-12,18H,8,10H2,1H3,(H,23,28)(H,24,25);1H,(H,2,3)
InChIKeyHTMAQNKHIFUOII-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.29
Rot. Bonds2

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

formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 171324963) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Nameformic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID171324963
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Nameformic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1cc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)n[nH]1.O=CO
InChIInChI=1S/C21H19N5O2.CH2O2/c1-13-11-17(25-24-13)19(27)26-10-8-21(18(26)14-5-4-9-22-12-14)15-6-2-3-7-16(15)23-20(21)28;2-1-3/h2-7,9,11-12,18H,8,10H2,1H3,(H,23,28)(H,24,25);1H,(H,2,3)
InChIKeyHTMAQNKHIFUOII-UHFFFAOYSA-N
XLogP2.29
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1'-(2,6-dimethylpyridine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615130
1'-(2-methyl-1,3-oxazole-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614621
formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171325696
1'-(4-methylpyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618568
1'-(2,5-dimethyl-1H-imidazole-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613087
1'-(2-ethoxyacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615107
1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620031
1'-(2-oxo-1H-pyridine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613092
methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate
CID 166620043
formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171324888
formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171330618
1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171713513

Frequently Asked Questions

What is the IUPAC name of formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 171324963) is formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is Cc1cc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)n[nH]1.O=CO.
What is the InChIKey of formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HTMAQNKHIFUOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2.CH2O2/c1-13-11-17(25-24-13)19(27)26-10-8-21(18(26)14-5-4-9-22-12-14)15-6-2-3-7-16(15)23-20(21)28;2-1-3/h2-7,9,11-12,18H,8,10H2,1H3,(H,23,28)(H,24,25);1H,(H,2,3).
What are the key properties of formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 419.44 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 171324963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).