(5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone

C22H27N5O — CID 134077665

IUPAC(5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
SMILESCC1CC(C(=O)N2CCC3(CC2)CN(c2cccnc2)c2ccccc23)NN1
InChIInChI=1S/C22H27N5O/c1-16-13-19(25-24-16)21(28)26-11-8-22(9-12-26)15-27(17-5-4-10-23-14-17)20-7-3-2-6-18(20)22/h2-7,10,14,16,19,24-25H,8-9,11-13,15H2,1H3
InChIKeyXWGODMOZHYURLA-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.35
Rot. Bonds2

About (5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone

(5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone (PubChem CID 134077665) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is (5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
PubChem CID134077665
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name(5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
SMILESCC1CC(C(=O)N2CCC3(CC2)CN(c2cccnc2)c2ccccc23)NN1
InChIInChI=1S/C22H27N5O/c1-16-13-19(25-24-16)21(28)26-11-8-22(9-12-26)15-27(17-5-4-10-23-14-17)20-7-3-2-6-18(20)22/h2-7,10,14,16,19,24-25H,8-9,11-13,15H2,1H3
InChIKeyXWGODMOZHYURLA-UHFFFAOYSA-N
XLogP2.35
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone (CID 134077665) is (5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone is CC1CC(C(=O)N2CCC3(CC2)CN(c2cccnc2)c2ccccc23)NN1.
What is the InChIKey of (5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
The InChIKey is XWGODMOZHYURLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-13-19(25-24-16)21(28)26-11-8-22(9-12-26)15-27(17-5-4-10-23-14-17)20-7-3-2-6-18(20)22/h2-7,10,14,16,19,24-25H,8-9,11-13,15H2,1H3.
What are the key properties of (5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
(5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 134077665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).