(4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine

C20H22Cl2F2N4 — CID 151234670

IUPAC(4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(-c3cccc(Cl)c3Cl)nc1C(F)F)CC2
InChIInChI=1S/C20H22Cl2F2N4/c21-13-4-1-3-12(16(13)22)14-11-26-19(17(27-14)18(23)24)28-9-7-20(8-10-28)6-2-5-15(20)25/h1,3-4,11,15,18H,2,5-10,25H2/t15-/m1/s1
InChIKeyNPAFKRPNPBBGQN-OAHLLOKOSA-N
MW427.33 g/mol
LogP5.49
Rot. Bonds3

About (4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine

(4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 151234670) has the molecular formula C20H22Cl2F2N4 and a molecular weight of 427.33 g/mol. Its IUPAC name is (4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID151234670
Molecular FormulaC20H22Cl2F2N4
Molecular Weight427.33 g/mol
Exact Mass426.12
IUPAC Name(4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(-c3cccc(Cl)c3Cl)nc1C(F)F)CC2
InChIInChI=1S/C20H22Cl2F2N4/c21-13-4-1-3-12(16(13)22)14-11-26-19(17(27-14)18(23)24)28-9-7-20(8-10-28)6-2-5-15(20)25/h1,3-4,11,15,18H,2,5-10,25H2/t15-/m1/s1
InChIKeyNPAFKRPNPBBGQN-OAHLLOKOSA-N
XLogP5.49
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine (CID 151234670) is (4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine is N[C@@H]1CCCC12CCN(c1ncc(-c3cccc(Cl)c3Cl)nc1C(F)F)CC2.
What is the InChIKey of (4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is NPAFKRPNPBBGQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22Cl2F2N4/c21-13-4-1-3-12(16(13)22)14-11-26-19(17(27-14)18(23)24)28-9-7-20(8-10-28)6-2-5-15(20)25/h1,3-4,11,15,18H,2,5-10,25H2/t15-/m1/s1.
What are the key properties of (4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 427.33 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 151234670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).