[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

C25H27FN8O — CID 170682942

IUPAC[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
SMILESNc1ccc2c(n1)CCN2C(=O)c1ncc(N2CCC3(CC2)Cc2ccc(F)cc2[C@H]3N)nc1N
InChIInChI=1S/C25H27FN8O/c26-15-2-1-14-12-25(22(28)16(14)11-15)6-9-33(10-7-25)20-13-30-21(23(29)32-20)24(35)34-8-5-17-18(34)3-4-19(27)31-17/h1-4,11,13,22H,5-10,12,28H2,(H2,27,31)(H2,29,32)/t22-/m1/s1
InChIKeyBYAWHNISWRFMRE-JOCHJYFZSA-N
MW474.54 g/mol
LogP2.22
Rot. Bonds2

About [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

[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 (PubChem CID 170682942) has the molecular formula C25H27FN8O and a molecular weight of 474.54 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID170682942
Molecular FormulaC25H27FN8O
Molecular Weight474.54 g/mol
Exact Mass474.23
IUPAC Name[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
SMILESNc1ccc2c(n1)CCN2C(=O)c1ncc(N2CCC3(CC2)Cc2ccc(F)cc2[C@H]3N)nc1N
InChIInChI=1S/C25H27FN8O/c26-15-2-1-14-12-25(22(28)16(14)11-15)6-9-33(10-7-25)20-13-30-21(23(29)32-20)24(35)34-8-5-17-18(34)3-4-19(27)31-17/h1-4,11,13,22H,5-10,12,28H2,(H2,27,31)(H2,29,32)/t22-/m1/s1
InChIKeyBYAWHNISWRFMRE-JOCHJYFZSA-N
XLogP2.22
TPSA140.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [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 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-(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-[(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-(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
[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
[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
3-[(3S)-3-amino-1'-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]-N-methylprop-2-ynamide
CID 171454750
(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide
CID 142434126
[3-amino-5-(4-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl)pyrazin-2-yl]-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone
CID 170683208
[3-amino-5-[(4S)-4-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]pyrazin-2-yl]-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone
CID 170682899
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 142433883

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Nc1ccc2c(n1)CCN2C(=O)c1ncc(N2CCC3(CC2)Cc2ccc(F)cc2[C@H]3N)nc1N.
What is the InChIKey of [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?
The InChIKey is BYAWHNISWRFMRE-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27FN8O/c26-15-2-1-14-12-25(22(28)16(14)11-15)6-9-33(10-7-25)20-13-30-21(23(29)32-20)24(35)34-8-5-17-18(34)3-4-19(27)31-17/h1-4,11,13,22H,5-10,12,28H2,(H2,27,31)(H2,29,32)/t22-/m1/s1.
What are the key properties of [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?
[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 has a molecular weight of 474.54 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 170682942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).