[3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol

C27H29N7OS — CID 162492908

IUPAC[3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol
SMILESN[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3ccnc4c3cc3n4CCC3)nc1CO)CC2
InChIInChI=1S/C27H29N7OS/c28-24-18-4-1-8-29-20(18)14-27(24)6-11-33(12-7-27)26-21(16-35)32-23(15-31-26)36-22-5-9-30-25-19(22)13-17-3-2-10-34(17)25/h1,4-5,8-9,13,15,24,35H,2-3,6-7,10-12,14,16,28H2/t24-/m1/s1
InChIKeyNDDLIVYGGKMRHY-XMMPIXPASA-N
MW499.64 g/mol
LogP3.65
Rot. Bonds4

About [3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol

[3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol (PubChem CID 162492908) has the molecular formula C27H29N7OS and a molecular weight of 499.64 g/mol. Its IUPAC name is [3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol
PubChem CID162492908
Molecular FormulaC27H29N7OS
Molecular Weight499.64 g/mol
Exact Mass499.22
IUPAC Name[3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol
SMILESN[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3ccnc4c3cc3n4CCC3)nc1CO)CC2
InChIInChI=1S/C27H29N7OS/c28-24-18-4-1-8-29-20(18)14-27(24)6-11-33(12-7-27)26-21(16-35)32-23(15-31-26)36-22-5-9-30-25-19(22)13-17-3-2-10-34(17)25/h1,4-5,8-9,13,15,24,35H,2-3,6-7,10-12,14,16,28H2/t24-/m1/s1
InChIKeyNDDLIVYGGKMRHY-XMMPIXPASA-N
XLogP3.65
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

2-[1-[4-[5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol
CID 162523182
[6-[(12-amino-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-10-yl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol
CID 162492923
[3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-[[(6S)-4-(methoxymethoxymethyl)-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-10-yl]sulfanyl]pyrazin-2-yl]methanol
CID 146510678
[3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-[[(4S,6S)-4-(ethoxymethyl)-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-10-yl]sulfanyl]pyrazin-2-yl]methanol
CID 158855319
[6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol
CID 154662929
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[[3-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]sulfanyl]pyrazin-2-yl]methanol
CID 154662909
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]methanol
CID 162492945
2-[1-[4-[5-[(7S)-7-aminospiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol
CID 162523238
2-[1-[4-[5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol
CID 162523231
[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
CID 162492921
2-[1-[4-[5-[(4S)-4-aminospiro[4,6-dihydrocyclopenta[d][1,3]oxazole-5,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-yl]propan-2-ol
CID 162523297
CID 174094851
CID 174094851

Frequently Asked Questions

What is the IUPAC name of [3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol?
The IUPAC name of [3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol (CID 162492908) is [3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol.
What is the SMILES notation for [3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol?
The canonical SMILES for [3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol is N[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3ccnc4c3cc3n4CCC3)nc1CO)CC2.
What is the InChIKey of [3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol?
The InChIKey is NDDLIVYGGKMRHY-XMMPIXPASA-N. The full InChI is InChI=1S/C27H29N7OS/c28-24-18-4-1-8-29-20(18)14-27(24)6-11-33(12-7-27)26-21(16-35)32-23(15-31-26)36-22-5-9-30-25-19(22)13-17-3-2-10-34(17)25/h1,4-5,8-9,13,15,24,35H,2-3,6-7,10-12,14,16,28H2/t24-/m1/s1.
What are the key properties of [3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol?
[3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol has a molecular weight of 499.64 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 9 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-(7,8-dihydro-6H-pyrido[3,2-b]pyrrolizin-4-ylsulfanyl)pyrazin-2-yl]methanol is sourced from PubChem (CID 162492908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).