6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C24H24N6OS — CID 166823168

IUPAC6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESC=C(c1cccs1)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)[nH]c(=O)c12
InChIInChI=1S/C24H24N6OS/c1-14(17-7-4-12-32-17)19-18-21(29-28-19)26-23(27-22(18)31)30-10-8-24(9-11-30)13-15-5-2-3-6-16(15)20(24)25/h2-7,12,20H,1,8-11,13,25H2,(H2,26,27,28,29,31)/t20-/m1/s1
InChIKeyLAONUUWKUBSOHC-HXUWFJFHSA-N
MW444.56 g/mol
LogP3.61
Rot. Bonds3

About 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166823168) has the molecular formula C24H24N6OS and a molecular weight of 444.56 g/mol. Its IUPAC name is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID166823168
Molecular FormulaC24H24N6OS
Molecular Weight444.56 g/mol
Exact Mass444.17
IUPAC Name6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESC=C(c1cccs1)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)[nH]c(=O)c12
InChIInChI=1S/C24H24N6OS/c1-14(17-7-4-12-32-17)19-18-21(29-28-19)26-23(27-22(18)31)30-10-8-24(9-11-30)13-15-5-2-3-6-16(15)20(24)25/h2-7,12,20H,1,8-11,13,25H2,(H2,26,27,28,29,31)/t20-/m1/s1
InChIKeyLAONUUWKUBSOHC-HXUWFJFHSA-N
XLogP3.61
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 166823168) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is C=C(c1cccs1)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)[nH]c(=O)c12.
What is the InChIKey of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is LAONUUWKUBSOHC-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24N6OS/c1-14(17-7-4-12-32-17)19-18-21(29-28-19)26-23(27-22(18)31)30-10-8-24(9-11-30)13-15-5-2-3-6-16(15)20(24)25/h2-7,12,20H,1,8-11,13,25H2,(H2,26,27,28,29,31)/t20-/m1/s1.
What are the key properties of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 444.56 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-thiophen-2-ylethenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166823168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).