4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one

C24H24ClN7O2 — CID 147401059

IUPAC4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one
SMILESCn1ccc(Oc2n[nH]c3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc23)c(Cl)c1=O
InChIInChI=1S/C24H24ClN7O2/c1-31-9-6-16(18(25)23(31)33)34-22-19-21(29-30-22)28-17(13-27-19)32-10-7-24(8-11-32)12-14-4-2-3-5-15(14)20(24)26/h2-6,9,13,20H,7-8,10-12,26H2,1H3,(H,28,29,30)/t20-/m1/s1
InChIKeyDOTJKMHYCWGJDM-HXUWFJFHSA-N
MW477.96 g/mol
LogP3.34
Rot. Bonds3

About 4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one

4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one (PubChem CID 147401059) has the molecular formula C24H24ClN7O2 and a molecular weight of 477.96 g/mol. Its IUPAC name is 4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one
PubChem CID147401059
Molecular FormulaC24H24ClN7O2
Molecular Weight477.96 g/mol
Exact Mass477.17
IUPAC Name4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one
SMILESCn1ccc(Oc2n[nH]c3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc23)c(Cl)c1=O
InChIInChI=1S/C24H24ClN7O2/c1-31-9-6-16(18(25)23(31)33)34-22-19-21(29-30-22)28-17(13-27-19)32-10-7-24(8-11-32)12-14-4-2-3-5-15(14)20(24)26/h2-6,9,13,20H,7-8,10-12,26H2,1H3,(H,28,29,30)/t20-/m1/s1
InChIKeyDOTJKMHYCWGJDM-HXUWFJFHSA-N
XLogP3.34
TPSA114.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.96
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one with MolForge

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Related Compounds

(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
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
4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7H-pyrrolo[2,3-b]pyrazin-2-yl]sulfanyl]-3-chloro-1-methylpyridin-2-one
CID 167638959
(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148763181
4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1-methylpyridin-2-one;tert-butyl N-[(1S)-1'-[5-[(3-chloro-1-methyl-2-oxo-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;tert-butyl N-[(1S)-1'-[5-[(3-chloro-2-oxo-1H-pyridin-4-yl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;hydrochloride
CID 161078254
(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
(1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148835096
(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]-2-(2,6-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-3-one
CID 169100620
4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1H-pyridin-2-one
CID 142434039
1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 134473830
4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine
CID 134474008

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one?
The IUPAC name of 4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one (CID 147401059) is 4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one?
The canonical SMILES for 4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one is Cn1ccc(Oc2n[nH]c3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc23)c(Cl)c1=O.
What is the InChIKey of 4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one?
The InChIKey is DOTJKMHYCWGJDM-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24ClN7O2/c1-31-9-6-16(18(25)23(31)33)34-22-19-21(29-30-22)28-17(13-27-19)32-10-7-24(8-11-32)12-14-4-2-3-5-15(14)20(24)26/h2-6,9,13,20H,7-8,10-12,26H2,1H3,(H,28,29,30)/t20-/m1/s1.
What are the key properties of 4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one?
4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one has a molecular weight of 477.96 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one is sourced from PubChem (CID 147401059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).