formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H23N5O4 — CID 171330618

IUPACformic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(CCc1cn[nH]c1)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1.O=CO
InChIInChI=1S/C22H21N5O2.CH2O2/c28-19(8-7-15-12-24-25-13-15)27-11-9-22(20(27)16-4-3-10-23-14-16)17-5-1-2-6-18(17)26-21(22)29;2-1-3/h1-6,10,12-14,20H,7-9,11H2,(H,24,25)(H,26,29);1H,(H,2,3)
InChIKeyYLKFVZAINDYZAY-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.30
Rot. Bonds4

About formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 171330618) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Nameformic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID171330618
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Nameformic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(CCc1cn[nH]c1)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1.O=CO
InChIInChI=1S/C22H21N5O2.CH2O2/c28-19(8-7-15-12-24-25-13-15)27-11-9-22(20(27)16-4-3-10-23-14-16)17-5-1-2-6-18(17)26-21(22)29;2-1-3/h1-6,10,12-14,20H,7-9,11H2,(H,24,25)(H,26,29);1H,(H,2,3)
InChIKeyYLKFVZAINDYZAY-UHFFFAOYSA-N
XLogP2.30
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.30
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'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616556
formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171324888
1'-(3-cyclopropylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612449
1'-(3-cyclobutylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623782
1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621931
1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614415
1'-(2-ethoxyacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615107
1'-[3-(3-methylpyrazol-1-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614030
formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171324963
N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide
CID 166614526
N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]propanamide
CID 166612704
1'-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622128

Frequently Asked Questions

What is the IUPAC name of formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 171330618) is formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(CCc1cn[nH]c1)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1.O=CO.
What is the InChIKey of formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is YLKFVZAINDYZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2.CH2O2/c28-19(8-7-15-12-24-25-13-15)27-11-9-22(20(27)16-4-3-10-23-14-16)17-5-1-2-6-18(17)26-21(22)29;2-1-3/h1-6,10,12-14,20H,7-9,11H2,(H,24,25)(H,26,29);1H,(H,2,3).
What are the key properties of formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 433.47 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 171330618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).