(1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane

C25H27FN6 — CID 159500577

IUPAC(1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane
SMILESC.N[C@H]1c2ccccc2CC12CCN(c1cnc3c(n1)CN=C3c1ccncc1F)CC2
InChIInChI=1S/C24H23FN6.CH4/c25-18-12-27-8-5-17(18)21-22-19(13-28-21)30-20(14-29-22)31-9-6-24(7-10-31)11-15-3-1-2-4-16(15)23(24)26;/h1-5,8,12,14,23H,6-7,9-11,13,26H2;1H4/t23-;/m0./s1
InChIKeyLZILOEVNUZIPPZ-BQAIUKQQSA-N
MW430.53 g/mol
LogP3.84
Rot. Bonds2

About (1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane

(1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane (PubChem CID 159500577) has the molecular formula C25H27FN6 and a molecular weight of 430.53 g/mol. Its IUPAC name is (1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane.

Molecular Properties

Compound Name(1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane
PubChem CID159500577
Molecular FormulaC25H27FN6
Molecular Weight430.53 g/mol
Exact Mass430.23
IUPAC Name(1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane
SMILESC.N[C@H]1c2ccccc2CC12CCN(c1cnc3c(n1)CN=C3c1ccncc1F)CC2
InChIInChI=1S/C24H23FN6.CH4/c25-18-12-27-8-5-17(18)21-22-19(13-28-21)30-20(14-29-22)31-9-6-24(7-10-31)11-15-3-1-2-4-16(15)23(24)26;/h1-5,8,12,14,23H,6-7,9-11,13,26H2;1H4/t23-;/m0./s1
InChIKeyLZILOEVNUZIPPZ-BQAIUKQQSA-N
XLogP3.84
TPSA80.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane with MolForge

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Related Compounds

(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148763181
(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 159265437
(3S,4S)-8-[7-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 158418048
(1S,1'R,5'S)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine;methane
CID 167549037
(1R)-1'-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;1'-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-chloro-3-(2,3-dichlorophenyl)pyrazin-2-amine;methyl thiohypofluorite;spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;sulfane
CID 167646399
(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100667
(1S)-1-amino-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile
CID 161452087
(1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine
CID 167539373
(4S)-1'-[7-(2-amino-6-chloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-tert-butylspiro[4,6-dihydrocyclopenta[b]thiophene-5,4'-piperidine]-4-amine
CID 163863803
(3S)-3-amino-6-fluoro-1'-[7-(6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile
CID 163633403
(1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane
CID 160631140
(1R)-4'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine
CID 158936254

Frequently Asked Questions

What is the IUPAC name of (1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane?
The IUPAC name of (1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane (CID 159500577) is (1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane.
What is the SMILES notation for (1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane?
The canonical SMILES for (1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane is C.N[C@H]1c2ccccc2CC12CCN(c1cnc3c(n1)CN=C3c1ccncc1F)CC2.
What is the InChIKey of (1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane?
The InChIKey is LZILOEVNUZIPPZ-BQAIUKQQSA-N. The full InChI is InChI=1S/C24H23FN6.CH4/c25-18-12-27-8-5-17(18)21-22-19(13-28-21)30-20(14-29-22)31-9-6-24(7-10-31)11-15-3-1-2-4-16(15)23(24)26;/h1-5,8,12,14,23H,6-7,9-11,13,26H2;1H4/t23-;/m0./s1.
What are the key properties of (1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane?
(1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane has a molecular weight of 430.53 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane is sourced from PubChem (CID 159500577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).