(5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C21H20Cl2N6S — CID 155385247

IUPAC(5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESN[C@@H]1c2cccnc2CC12CCN(c1cnc(Sc3c(Cl)cncc3Cl)cn1)CC2
InChIInChI=1S/C21H20Cl2N6S/c22-14-9-25-10-15(23)19(14)30-18-12-27-17(11-28-18)29-6-3-21(4-7-29)8-16-13(20(21)24)2-1-5-26-16/h1-2,5,9-12,20H,3-4,6-8,24H2/t20-/m1/s1
InChIKeyLSBDZGKTAFHBJS-HXUWFJFHSA-N
MW459.41 g/mol
LogP4.57
Rot. Bonds3

About (5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

(5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 155385247) has the molecular formula C21H20Cl2N6S and a molecular weight of 459.41 g/mol. Its IUPAC name is (5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name(5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID155385247
Molecular FormulaC21H20Cl2N6S
Molecular Weight459.41 g/mol
Exact Mass458.08
IUPAC Name(5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESN[C@@H]1c2cccnc2CC12CCN(c1cnc(Sc3c(Cl)cncc3Cl)cn1)CC2
InChIInChI=1S/C21H20Cl2N6S/c22-14-9-25-10-15(23)19(14)30-18-12-27-17(11-28-18)29-6-3-21(4-7-29)8-16-13(20(21)24)2-1-5-26-16/h1-2,5,9-12,20H,3-4,6-8,24H2/t20-/m1/s1
InChIKeyLSBDZGKTAFHBJS-HXUWFJFHSA-N
XLogP4.57
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine with MolForge

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Related Compounds

(1S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5,6,7-trifluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 162501153
6-[5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-5-chloro-3-(3-fluoropropyl)quinazolin-4-one
CID 167307643
6-[5-[(5R)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-5-chloro-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 171722759
(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 155774186
(5S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 135337300
(5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146538401
(5S)-1'-[5-[[(4S,6S)-4-(methoxymethyl)-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-10-yl]sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146472681
4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-1H-pyridin-2-one
CID 142434039
N-[3-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropyridine-2-carboxamide
CID 177380213
10-[5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-4-[(1-hydroxycyclopropyl)methyl]-8-oxa-2,4,13-triazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one
CID 175789800
(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148763181
1-[4-[2-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloro-2-pyridinyl]piperidin-4-ol
CID 146553932

Frequently Asked Questions

What is the IUPAC name of (5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of (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) is (5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for (5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for (5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is N[C@@H]1c2cccnc2CC12CCN(c1cnc(Sc3c(Cl)cncc3Cl)cn1)CC2.
What is the InChIKey of (5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is LSBDZGKTAFHBJS-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20Cl2N6S/c22-14-9-25-10-15(23)19(14)30-18-12-27-17(11-28-18)29-6-3-21(4-7-29)8-16-13(20(21)24)2-1-5-26-16/h1-2,5,9-12,20H,3-4,6-8,24H2/t20-/m1/s1.
What are the key properties of (5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
(5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 459.41 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 155385247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).