(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C25H24ClN7S — CID 146485842

IUPAC(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc3n2)c1Cl
InChIInChI=1S/C25H24ClN7S/c26-21-18(7-10-29-23(21)28)34-20-6-5-17-24(32-20)30-14-19(31-17)33-11-8-25(9-12-33)13-15-3-1-2-4-16(15)22(25)27/h1-7,10,14,22H,8-9,11-13,27H2,(H2,28,29)/t22-/m1/s1
InChIKeyXNIYTWAJXXHCLG-JOCHJYFZSA-N
MW490.04 g/mol
LogP4.65
Rot. Bonds3

About (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 146485842) has the molecular formula C25H24ClN7S and a molecular weight of 490.04 g/mol. Its IUPAC name is (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID146485842
Molecular FormulaC25H24ClN7S
Molecular Weight490.04 g/mol
Exact Mass489.15
IUPAC Name(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc3n2)c1Cl
InChIInChI=1S/C25H24ClN7S/c26-21-18(7-10-29-23(21)28)34-20-6-5-17-24(32-20)30-14-19(31-17)33-11-8-25(9-12-33)13-15-3-1-2-4-16(15)22(25)27/h1-7,10,14,22H,8-9,11-13,27H2,(H2,28,29)/t22-/m1/s1
InChIKeyXNIYTWAJXXHCLG-JOCHJYFZSA-N
XLogP4.65
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.04
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-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-[[2-chloro-6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 168280951
(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
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'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 146485842) is (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Nc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)cnc3n2)c1Cl.
What is the InChIKey of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is XNIYTWAJXXHCLG-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24ClN7S/c26-21-18(7-10-29-23(21)28)34-20-6-5-17-24(32-20)30-14-19(31-17)33-11-8-25(9-12-33)13-15-3-1-2-4-16(15)22(25)27/h1-7,10,14,22H,8-9,11-13,27H2,(H2,28,29)/t22-/m1/s1.
What are the key properties of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 490.04 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 146485842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).