[7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone

C24H23ClFN5O — CID 67497586

IUPAC[7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone
SMILESO=C(c1cc(F)ccc1-c1cnccn1)N1CCC2(CC2)CC1CNc1ccc(Cl)cn1
InChIInChI=1S/C24H23ClFN5O/c25-16-1-4-22(29-13-16)30-14-18-12-24(5-6-24)7-10-31(18)23(32)20-11-17(26)2-3-19(20)21-15-27-8-9-28-21/h1-4,8-9,11,13,15,18H,5-7,10,12,14H2,(H,29,30)
InChIKeyPSMZYPLFQCOXPU-UHFFFAOYSA-N
MW451.93 g/mol
LogP4.83
Rot. Bonds5

About [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone

[7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone (PubChem CID 67497586) has the molecular formula C24H23ClFN5O and a molecular weight of 451.93 g/mol. Its IUPAC name is [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone
PubChem CID67497586
Molecular FormulaC24H23ClFN5O
Molecular Weight451.93 g/mol
Exact Mass451.16
IUPAC Name[7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone
SMILESO=C(c1cc(F)ccc1-c1cnccn1)N1CCC2(CC2)CC1CNc1ccc(Cl)cn1
InChIInChI=1S/C24H23ClFN5O/c25-16-1-4-22(29-13-16)30-14-18-12-24(5-6-24)7-10-31(18)23(32)20-11-17(26)2-3-19(20)21-15-27-8-9-28-21/h1-4,8-9,11,13,15,18H,5-7,10,12,14H2,(H,29,30)
InChIKeyPSMZYPLFQCOXPU-UHFFFAOYSA-N
XLogP4.83
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone?
The IUPAC name of [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone (CID 67497586) is [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone.
What is the SMILES notation for [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone?
The canonical SMILES for [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone is O=C(c1cc(F)ccc1-c1cnccn1)N1CCC2(CC2)CC1CNc1ccc(Cl)cn1.
What is the InChIKey of [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone?
The InChIKey is PSMZYPLFQCOXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O/c25-16-1-4-22(29-13-16)30-14-18-12-24(5-6-24)7-10-31(18)23(32)20-11-17(26)2-3-19(20)21-15-27-8-9-28-21/h1-4,8-9,11,13,15,18H,5-7,10,12,14H2,(H,29,30).
What are the key properties of [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone?
[7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone has a molecular weight of 451.93 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone is sourced from PubChem (CID 67497586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).