[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

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

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Launch Full Analysis

Related Compounds

[(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 66848385
[7-[[(6-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-methyl-2-pyrazin-2-ylphenyl)methanone
CID 87422658
tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 67497681
[2-[[(5-chloro-2-pyridinyl)amino]methyl]-4,4-difluoropiperidin-1-yl]-(3-pyrimidin-2-yl-4-pyridinyl)methanone
CID 71730095
(5-methyl-2-pyrimidin-2-ylphenyl)-[8-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methanone
CID 66848761
(5-chloro-2-pyrimidin-2-ylphenyl)-[(6S)-6-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone
CID 71602542
[7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[7-[[(6-methyl-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 66899710
[7-[(5-chloro-2-pyridinyl)amino]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 123928295
[8-[[(5-chloro-2-pyridinyl)amino]methyl]-7-azaspiro[3.5]nonan-7-yl]-[5-[(1R)-cyclohexa-2,4-dien-1-yl]-2-methyl-1,3-thiazol-4-yl]methanone
CID 163685377
[7-[[(4-methylpyrimidin-2-yl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-phenylphenyl)methanone
CID 67497922
4-pyrimidin-2-yl-3-[6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptane-5-carbonyl]benzonitrile
CID 78129020
tert-butyl 7-[[(5-fluoropyrimidin-2-yl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 67498621

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).