5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid

C26H25N7O4 — CID 175341987

IUPAC5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESC=C(c1c[nH]c(=O)c(C(=O)O)c1)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3C4N)[nH]c(=O)c12
InChIInChI=1S/C26H25N7O4/c1-13(15-10-17(24(36)37)22(34)28-12-15)19-18-21(32-31-19)29-25(30-23(18)35)33-8-6-26(7-9-33)11-14-4-2-3-5-16(14)20(26)27/h2-5,10,12,20H,1,6-9,11,27H2,(H,28,34)(H,36,37)(H2,29,30,31,32,35)
InChIKeyYLLJYXWGZHOLTC-UHFFFAOYSA-N
MW499.53 g/mol
LogP1.94
Rot. Bonds4

About 5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid

5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 175341987) has the molecular formula C26H25N7O4 and a molecular weight of 499.53 g/mol. Its IUPAC name is 5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID175341987
Molecular FormulaC26H25N7O4
Molecular Weight499.53 g/mol
Exact Mass499.20
IUPAC Name5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESC=C(c1c[nH]c(=O)c(C(=O)O)c1)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3C4N)[nH]c(=O)c12
InChIInChI=1S/C26H25N7O4/c1-13(15-10-17(24(36)37)22(34)28-12-15)19-18-21(32-31-19)29-25(30-23(18)35)33-8-6-26(7-9-33)11-14-4-2-3-5-16(14)20(26)27/h2-5,10,12,20H,1,6-9,11,27H2,(H,28,34)(H,36,37)(H2,29,30,31,32,35)
InChIKeyYLLJYXWGZHOLTC-UHFFFAOYSA-N
XLogP1.94
TPSA173.85 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.53
LogP ≤ 51.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]pyridine-2-carboxylic acid
CID 175341982
3-[1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]benzamide
CID 166823374
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(5,6-dichloro-3-pyridinyl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166823201
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-[6-(hydroxymethyl)-2-pyridinyl]ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166823133
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(3-hydroxy-2-methoxyphenyl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166823449
2-[1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-1,3-thiazole-5-carbonitrile
CID 172767686
6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-3-[1-[(4S)-2,2-difluoro-4H-1,3-benzodioxin-4-yl]ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 175586278
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[(1S,2S)-2-phenylcyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523333
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(3-hydroxyphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523153
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(3-methylphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523388
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-chloro-3-hydroxyphenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523378
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1,3-dihydro-2-benzofuran-4-yl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523371

Frequently Asked Questions

What is the IUPAC name of 5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 175341987) is 5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid is C=C(c1c[nH]c(=O)c(C(=O)O)c1)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3C4N)[nH]c(=O)c12.
What is the InChIKey of 5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is YLLJYXWGZHOLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O4/c1-13(15-10-17(24(36)37)22(34)28-12-15)19-18-21(32-31-19)29-25(30-23(18)35)33-8-6-26(7-9-33)11-14-4-2-3-5-16(14)20(26)27/h2-5,10,12,20H,1,6-9,11,27H2,(H,28,34)(H,36,37)(H2,29,30,31,32,35).
What are the key properties of 5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 499.53 g/mol, XLogP of 1.94, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 175341987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).