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

C21H22ClN7OS — CID 163362565

IUPAC6-[(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
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c(=O)[nH]2)c1Cl
InChIInChI=1S/C21H22ClN7OS/c22-16-14(3-7-26-18(16)24)31-15-11-27-19(20(30)28-15)29-8-4-21(5-9-29)10-13-12(17(21)23)2-1-6-25-13/h1-3,6-7,11,17H,4-5,8-10,23H2,(H2,24,26)(H,28,30)/t17-/m1/s1
InChIKeyRVHIJMNMNYRPHF-QGZVFWFLSA-N
MW455.98 g/mol
LogP2.79
Rot. Bonds3

About 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

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 (PubChem CID 163362565) has the molecular formula C21H22ClN7OS and a molecular weight of 455.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID163362565
Molecular FormulaC21H22ClN7OS
Molecular Weight455.98 g/mol
Exact Mass455.13
IUPAC Name6-[(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
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c(=O)[nH]2)c1Cl
InChIInChI=1S/C21H22ClN7OS/c22-16-14(3-7-26-18(16)24)31-15-11-27-19(20(30)28-15)29-8-4-21(5-9-29)10-13-12(17(21)23)2-1-6-25-13/h1-3,6-7,11,17H,4-5,8-10,23H2,(H2,24,26)(H,28,30)/t17-/m1/s1
InChIKeyRVHIJMNMNYRPHF-QGZVFWFLSA-N
XLogP2.79
TPSA126.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.98
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one
CID 163362567
(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
3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one
CID 139525640
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol
CID 167301574
CID 174094851
CID 174094851
1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-deuterioimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 169008421
(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-deuteriospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 169008435
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile
CID 154662889
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 162352729
6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methylpyrimidin-4-one
CID 146537294
1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-2,2,2-trifluoroethanol
CID 154662904
1-[5-amino-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-[2-chloro-3-(1,3-oxazol-2-yl)phenyl]sulfanylpyrazin-2-yl]ethanone
CID 162383083

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c(=O)[nH]2)c1Cl.
What is the InChIKey of 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?
The InChIKey is RVHIJMNMNYRPHF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22ClN7OS/c22-16-14(3-7-26-18(16)24)31-15-11-27-19(20(30)28-15)29-8-4-21(5-9-29)10-13-12(17(21)23)2-1-6-25-13/h1-3,6-7,11,17H,4-5,8-10,23H2,(H2,24,26)(H,28,30)/t17-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 455.98 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163362565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).