(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C21H21Cl2N7S — CID 155164259

IUPAC(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)Cc3cc(Cl)ccc3[C@@H]4N)nn2)c1Cl
InChIInChI=1S/C21H21Cl2N7S/c22-13-1-2-14-12(9-13)10-21(18(14)24)4-7-30(8-5-21)20-27-11-16(28-29-20)31-15-3-6-26-19(25)17(15)23/h1-3,6,9,11,18H,4-5,7-8,10,24H2,(H2,25,26)/t18-/m0/s1
InChIKeyNZNHEJCSGAYBPS-SFHVURJKSA-N
MW474.42 g/mol
LogP4.15
Rot. Bonds3

About (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155164259) has the molecular formula C21H21Cl2N7S and a molecular weight of 474.42 g/mol. Its IUPAC name is (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155164259
Molecular FormulaC21H21Cl2N7S
Molecular Weight474.42 g/mol
Exact Mass473.10
IUPAC Name(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)Cc3cc(Cl)ccc3[C@@H]4N)nn2)c1Cl
InChIInChI=1S/C21H21Cl2N7S/c22-13-1-2-14-12(9-13)10-21(18(14)24)4-7-30(8-5-21)20-27-11-16(28-29-20)31-15-3-6-26-19(25)17(15)23/h1-3,6,9,11,18H,4-5,7-8,10,24H2,(H2,25,26)/t18-/m0/s1
InChIKeyNZNHEJCSGAYBPS-SFHVURJKSA-N
XLogP4.15
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.42
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Related Compounds

(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155164050
(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 156901251
3-[(3S)-3-amino-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]-N-methylprop-2-ynamide
CID 171454690
1-[4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1,2,4-triazin-6-yl]sulfanyl]-3-chloro-2-pyridinyl]piperidin-4-ol
CID 155187133
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 142433883
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,5R)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 155164111
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide
CID 155035659
(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide
CID 142434126
(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146554238
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
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

Frequently Asked Questions

What is the IUPAC name of (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155164259) is (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3cc(Cl)ccc3[C@@H]4N)nn2)c1Cl.
What is the InChIKey of (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is NZNHEJCSGAYBPS-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21Cl2N7S/c22-13-1-2-14-12(9-13)10-21(18(14)24)4-7-30(8-5-21)20-27-11-16(28-29-20)31-15-3-6-26-19(25)17(15)23/h1-3,6,9,11,18H,4-5,7-8,10,24H2,(H2,25,26)/t18-/m0/s1.
What are the key properties of (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 474.42 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155164259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).