4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one

C25H26ClN5O2 — CID 175756180

IUPAC4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one
SMILESNC1c2ccccc2CC12CCN(c1ncc(C=Cc3cc[nH]c(=O)c3Cl)nc1CO)CC2
InChIInChI=1S/C25H26ClN5O2/c26-21-16(7-10-28-24(21)33)5-6-18-14-29-23(20(15-32)30-18)31-11-8-25(9-12-31)13-17-3-1-2-4-19(17)22(25)27/h1-7,10,14,22,32H,8-9,11-13,15,27H2,(H,28,33)
InChIKeyPVVMTEURRUNFBR-UHFFFAOYSA-N
MW463.97 g/mol
LogP3.32
Rot. Bonds4

About 4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one

4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one (PubChem CID 175756180) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one
PubChem CID175756180
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC Name4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one
SMILESNC1c2ccccc2CC12CCN(c1ncc(C=Cc3cc[nH]c(=O)c3Cl)nc1CO)CC2
InChIInChI=1S/C25H26ClN5O2/c26-21-16(7-10-28-24(21)33)5-6-18-14-29-23(20(15-32)30-18)31-11-8-25(9-12-31)13-17-3-1-2-4-19(17)22(25)27/h1-7,10,14,22,32H,8-9,11-13,15,27H2,(H,28,33)
InChIKeyPVVMTEURRUNFBR-UHFFFAOYSA-N
XLogP3.32
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one?
The IUPAC name of 4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one (CID 175756180) is 4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one?
The canonical SMILES for 4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one is NC1c2ccccc2CC12CCN(c1ncc(C=Cc3cc[nH]c(=O)c3Cl)nc1CO)CC2.
What is the InChIKey of 4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one?
The InChIKey is PVVMTEURRUNFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c26-21-16(7-10-28-24(21)33)5-6-18-14-29-23(20(15-32)30-18)31-11-8-25(9-12-31)13-17-3-1-2-4-19(17)22(25)27/h1-7,10,14,22,32H,8-9,11-13,15,27H2,(H,28,33).
What are the key properties of 4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one?
4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one has a molecular weight of 463.97 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one is sourced from PubChem (CID 175756180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).