[3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone

C25H26F2N8O — CID 170682926

IUPAC[3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone
SMILESNc1ccc2c(n1)C(F)(F)CN2C(=O)c1ncc(N2CCC3(CC2)Cc2ccccc2C3N)nc1N
InChIInChI=1S/C25H26F2N8O/c26-25(27)13-35(16-5-6-17(28)32-21(16)25)23(36)19-22(30)33-18(12-31-19)34-9-7-24(8-10-34)11-14-3-1-2-4-15(14)20(24)29/h1-6,12,20H,7-11,13,29H2,(H2,28,32)(H2,30,33)
InChIKeyIYXXVPFIVHVHOQ-UHFFFAOYSA-N
MW492.53 g/mol
LogP2.63
Rot. Bonds2

About [3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone

[3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone (PubChem CID 170682926) has the molecular formula C25H26F2N8O and a molecular weight of 492.53 g/mol. Its IUPAC name is [3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone.

Molecular Properties

Compound Name[3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone
PubChem CID170682926
Molecular FormulaC25H26F2N8O
Molecular Weight492.53 g/mol
Exact Mass492.22
IUPAC Name[3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone
SMILESNc1ccc2c(n1)C(F)(F)CN2C(=O)c1ncc(N2CCC3(CC2)Cc2ccccc2C3N)nc1N
InChIInChI=1S/C25H26F2N8O/c26-25(27)13-35(16-5-6-17(28)32-21(16)25)23(36)19-22(30)33-18(12-31-19)34-9-7-24(8-10-34)11-14-3-1-2-4-15(14)20(24)29/h1-6,12,20H,7-11,13,29H2,(H2,28,32)(H2,30,33)
InChIKeyIYXXVPFIVHVHOQ-UHFFFAOYSA-N
XLogP2.63
TPSA140.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone with MolForge

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Related Compounds

[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
CID 170683175
[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydroindol-1-yl)methanone
CID 170682894
[3-amino-5-[(1S)-1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
CID 170682942
[3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
CID 170683092
[3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 170682967
(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone
CID 170682927
(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148763181
(R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 170683025
(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-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 155095692
[3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 170682891
2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol
CID 163833910

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone?
The IUPAC name of [3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone (CID 170682926) is [3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone.
What is the SMILES notation for [3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone?
The canonical SMILES for [3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone is Nc1ccc2c(n1)C(F)(F)CN2C(=O)c1ncc(N2CCC3(CC2)Cc2ccccc2C3N)nc1N.
What is the InChIKey of [3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone?
The InChIKey is IYXXVPFIVHVHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N8O/c26-25(27)13-35(16-5-6-17(28)32-21(16)25)23(36)19-22(30)33-18(12-31-19)34-9-7-24(8-10-34)11-14-3-1-2-4-15(14)20(24)29/h1-6,12,20H,7-11,13,29H2,(H2,28,32)(H2,30,33).
What are the key properties of [3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone?
[3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone has a molecular weight of 492.53 g/mol, XLogP of 2.63, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone is sourced from PubChem (CID 170682926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).