(1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C22H23ClN6O — CID 148835096

IUPAC(1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1nccc(Oc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)cn2)c1Cl
InChIInChI=1S/C22H23ClN6O/c23-19-16(5-8-26-21(19)25)30-18-13-27-17(12-28-18)29-9-6-22(7-10-29)11-14-3-1-2-4-15(14)20(22)24/h1-5,8,12-13,20H,6-7,9-11,24H2,(H2,25,26)/t20-/m1/s1
InChIKeyOUKYPTINHNVMNV-HXUWFJFHSA-N
MW422.92 g/mol
LogP3.74
Rot. Bonds3

About (1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 148835096) has the molecular formula C22H23ClN6O and a molecular weight of 422.92 g/mol. Its IUPAC name is (1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID148835096
Molecular FormulaC22H23ClN6O
Molecular Weight422.92 g/mol
Exact Mass422.16
IUPAC Name(1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1nccc(Oc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)cn2)c1Cl
InChIInChI=1S/C22H23ClN6O/c23-19-16(5-8-26-21(19)25)30-18-13-27-17(12-28-18)29-9-6-22(7-10-29)11-14-3-1-2-4-15(14)20(22)24/h1-5,8,12-13,20H,6-7,9-11,24H2,(H2,25,26)/t20-/m1/s1
InChIKeyOUKYPTINHNVMNV-HXUWFJFHSA-N
XLogP3.74
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 148835096) is (1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Nc1nccc(Oc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)cn2)c1Cl.
What is the InChIKey of (1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is OUKYPTINHNVMNV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23ClN6O/c23-19-16(5-8-26-21(19)25)30-18-13-27-17(12-28-18)29-9-6-22(7-10-29)11-14-3-1-2-4-15(14)20(22)24/h1-5,8,12-13,20H,6-7,9-11,24H2,(H2,25,26)/t20-/m1/s1.
What are the key properties of (1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 422.92 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 148835096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).