(1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C23H22ClN7S — CID 155796509

IUPAC(1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nc3ncc(Sc4ccncc4Cl)nc3[nH]1)CC2
InChIInChI=1S/C23H22ClN7S/c24-16-12-26-8-5-17(16)32-18-13-27-20-21(28-18)30-22(29-20)31-9-6-23(7-10-31)11-14-3-1-2-4-15(14)19(23)25/h1-5,8,12-13,19H,6-7,9-11,25H2,(H,27,28,29,30)/t19-/m1/s1
InChIKeyZGZATUCGLSWXHC-LJQANCHMSA-N
MW464.00 g/mol
LogP4.40
Rot. Bonds3

About (1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155796509) has the molecular formula C23H22ClN7S and a molecular weight of 464.00 g/mol. Its IUPAC name is (1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155796509
Molecular FormulaC23H22ClN7S
Molecular Weight464.00 g/mol
Exact Mass463.13
IUPAC Name(1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nc3ncc(Sc4ccncc4Cl)nc3[nH]1)CC2
InChIInChI=1S/C23H22ClN7S/c24-16-12-26-8-5-17(16)32-18-13-27-20-21(28-18)30-22(29-20)31-9-6-23(7-10-31)11-14-3-1-2-4-15(14)19(23)25/h1-5,8,12-13,19H,6-7,9-11,25H2,(H,27,28,29,30)/t19-/m1/s1
InChIKeyZGZATUCGLSWXHC-LJQANCHMSA-N
XLogP4.40
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.00
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Related Compounds

Sitneprotafib
CID 142434183
(S)-1'-(6-((2-Amino-3-chloropyridin-4-yl)thio)-1,2,4-triazin-3-yl)-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine
CID 155164064
(5S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine
CID 135337362
(2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine
CID 135337592
US10934302, Example 87
CID 142433994
(7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine
CID 155385218
(1S)-1'-[5-[[3-chloro-2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 168284280
(5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 135337300
(1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155796647
US10934302, Example 139
CID 148566359
US10934302, Example 218
CID 156119559
US10934302, Example 217
CID 156119658

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155796509) is (1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1nc3ncc(Sc4ccncc4Cl)nc3[nH]1)CC2.
What is the InChIKey of (1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is ZGZATUCGLSWXHC-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22ClN7S/c24-16-12-26-8-5-17(16)32-18-13-27-20-21(28-18)30-22(29-20)31-9-6-23(7-10-31)11-14-3-1-2-4-15(14)19(23)25/h1-5,8,12-13,19H,6-7,9-11,25H2,(H,27,28,29,30)/t19-/m1/s1.
What are the key properties of (1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 464.00 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[5-[(3-chloro-4-pyridinyl)sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155796509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).