(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C25H24Cl2N6 — CID 164743655

IUPAC(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ncnc2c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H24Cl2N6/c26-18-7-3-6-17(22(18)27)21-19(28)12-20(33-24(21)30-14-31-33)32-10-8-25(9-11-32)13-15-4-1-2-5-16(15)23(25)29/h1-7,12,14,23H,8-11,13,28-29H2/t23-/m1/s1
InChIKeyZDAGYPRENJWJNS-HSZRJFAPSA-N
MW479.42 g/mol
LogP5.13
Rot. Bonds2

About (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 164743655) has the molecular formula C25H24Cl2N6 and a molecular weight of 479.42 g/mol. Its IUPAC name is (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID164743655
Molecular FormulaC25H24Cl2N6
Molecular Weight479.42 g/mol
Exact Mass478.14
IUPAC Name(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ncnc2c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H24Cl2N6/c26-18-7-3-6-17(22(18)27)21-19(28)12-20(33-24(21)30-14-31-33)32-10-8-25(9-11-32)13-15-4-1-2-5-16(15)23(25)29/h1-7,12,14,23H,8-11,13,28-29H2/t23-/m1/s1
InChIKeyZDAGYPRENJWJNS-HSZRJFAPSA-N
XLogP5.13
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.42
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 164743655) is (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Nc1cc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ncnc2c1-c1cccc(Cl)c1Cl.
What is the InChIKey of (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is ZDAGYPRENJWJNS-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24Cl2N6/c26-18-7-3-6-17(22(18)27)21-19(28)12-20(33-24(21)30-14-31-33)32-10-8-25(9-11-32)13-15-4-1-2-5-16(15)23(25)29/h1-7,12,14,23H,8-11,13,28-29H2/t23-/m1/s1.
What are the key properties of (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 479.42 g/mol, XLogP of 5.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 164743655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).