3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one

C19H25N5O — CID 139525640

IUPAC3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(=O)[nH]1
InChIInChI=1S/C19H25N5O/c1-12(2)15-11-22-17(18(25)23-15)24-8-5-19(6-9-24)10-14-13(16(19)20)4-3-7-21-14/h3-4,7,11-12,16H,5-6,8-10,20H2,1-2H3,(H,23,25)/t16-/m1/s1
InChIKeyYBUMKXXTWVSSIA-MRXNPFEDSA-N
MW339.44 g/mol
LogP2.13
Rot. Bonds2

About 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one

3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one (PubChem CID 139525640) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one
PubChem CID139525640
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(=O)[nH]1
InChIInChI=1S/C19H25N5O/c1-12(2)15-11-22-17(18(25)23-15)24-8-5-19(6-9-24)10-14-13(16(19)20)4-3-7-21-14/h3-4,7,11-12,16H,5-6,8-10,20H2,1-2H3,(H,23,25)/t16-/m1/s1
InChIKeyYBUMKXXTWVSSIA-MRXNPFEDSA-N
XLogP2.13
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one)
CID 157242970
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1H-pyrazin-2-one
CID 163362565
(5S)-1'-propan-2-ylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 155623818
3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one
CID 166582781
(5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146538401
spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride
CID 155165273
(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride
CID 153482804
(5S)-1'-(3-fluoro-6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 168944352
3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one
CID 167301316
(5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 168944333
(5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 168943913
(5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 155385247

Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The IUPAC name of 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one (CID 139525640) is 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one is CC(C)c1cnc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(=O)[nH]1.
What is the InChIKey of 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The InChIKey is YBUMKXXTWVSSIA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12(2)15-11-22-17(18(25)23-15)24-8-5-19(6-9-24)10-14-13(16(19)20)4-3-7-21-14/h3-4,7,11-12,16H,5-6,8-10,20H2,1-2H3,(H,23,25)/t16-/m1/s1.
What are the key properties of 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one?
3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one is sourced from PubChem (CID 139525640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).