(1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C28H30N6O2 — CID 172853248

IUPAC(1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(c1c(OC)cccc1OC)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)cnc12
InChIInChI=1S/C28H30N6O2/c1-17(23-20(35-2)9-6-10-21(23)36-3)24-25-27(33-32-24)31-22(16-30-25)34-13-11-28(12-14-34)15-18-7-4-5-8-19(18)26(28)29/h4-10,16,26H,1,11-15,29H2,2-3H3,(H,31,32,33)/t26-/m1/s1
InChIKeyYIUOGTFSVLGTAO-AREMUKBSSA-N
MW482.59 g/mol
LogP4.27
Rot. Bonds5

About (1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 172853248) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is (1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID172853248
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name(1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(c1c(OC)cccc1OC)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)cnc12
InChIInChI=1S/C28H30N6O2/c1-17(23-20(35-2)9-6-10-21(23)36-3)24-25-27(33-32-24)31-22(16-30-25)34-13-11-28(12-14-34)15-18-7-4-5-8-19(18)26(28)29/h4-10,16,26H,1,11-15,29H2,2-3H3,(H,31,32,33)/t26-/m1/s1
InChIKeyYIUOGTFSVLGTAO-AREMUKBSSA-N
XLogP4.27
TPSA102.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Related Compounds

4-N-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloropyridine-2,4-diamine;dihydrochloride
CID 155774103
(1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155774367
[6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone
CID 146537670
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
(1S)-1'-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155385229
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[2-(2-methoxyphenyl)spiro[2.4]heptan-2-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523309
(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148763181
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
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
[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride
CID 155774215
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

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 172853248) is (1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is C=C(c1c(OC)cccc1OC)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)cnc12.
What is the InChIKey of (1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is YIUOGTFSVLGTAO-AREMUKBSSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-17(23-20(35-2)9-6-10-21(23)36-3)24-25-27(33-32-24)31-22(16-30-25)34-13-11-28(12-14-34)15-18-7-4-5-8-19(18)26(28)29/h4-10,16,26H,1,11-15,29H2,2-3H3,(H,31,32,33)/t26-/m1/s1.
What are the key properties of (1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 482.59 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 172853248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).