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

C24H23ClFN5O — CID 66848385

IUPAC[(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
SMILESO=C(c1cc(F)ccc1-c1ncccn1)N1CCC2(CC2)C[C@@H]1CNc1ccc(Cl)cn1
InChIInChI=1S/C24H23ClFN5O/c25-16-2-5-21(29-14-16)30-15-18-13-24(6-7-24)8-11-31(18)23(32)20-12-17(26)3-4-19(20)22-27-9-1-10-28-22/h1-5,9-10,12,14,18H,6-8,11,13,15H2,(H,29,30)/t18-/m1/s1
InChIKeyKYPBPBVTSKVRKH-GOSISDBHSA-N
MW451.93 g/mol
LogP4.83
Rot. Bonds5

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

[(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone (PubChem CID 66848385) has the molecular formula C24H23ClFN5O and a molecular weight of 451.93 g/mol. Its IUPAC name is [(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
PubChem CID66848385
Molecular FormulaC24H23ClFN5O
Molecular Weight451.93 g/mol
Exact Mass451.16
IUPAC Name[(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
SMILESO=C(c1cc(F)ccc1-c1ncccn1)N1CCC2(CC2)C[C@@H]1CNc1ccc(Cl)cn1
InChIInChI=1S/C24H23ClFN5O/c25-16-2-5-21(29-14-16)30-15-18-13-24(6-7-24)8-11-31(18)23(32)20-12-17(26)3-4-19(20)22-27-9-1-10-28-22/h1-5,9-10,12,14,18H,6-8,11,13,15H2,(H,29,30)/t18-/m1/s1
InChIKeyKYPBPBVTSKVRKH-GOSISDBHSA-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 [(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrazin-2-ylphenyl)methanone
CID 67497586
[2-[[(5-chloro-2-pyridinyl)amino]methyl]-4,4-difluoropiperidin-1-yl]-(3-pyrimidin-2-yl-4-pyridinyl)methanone
CID 71730095
(5-chloro-2-pyrimidin-2-ylphenyl)-[(6S)-6-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone
CID 71602542
(5-methyl-2-pyrimidin-2-ylphenyl)-[8-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methanone
CID 66848761
[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
tert-butyl 7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 67497681
4-pyrimidin-2-yl-3-[6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptane-5-carbonyl]benzonitrile
CID 78129020
[(1R,3S,6S)-3-[[(5-chloro-2-pyridinyl)amino]methyl]-2-azabicyclo[4.1.0]heptan-2-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 71746655
[7-[[(6-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-methyl-2-pyrazin-2-ylphenyl)methanone
CID 87422658
[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
[(2S,6S)-2,6-dimethyl-3-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]morpholin-4-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 176684524
[2-[[(5-chloropyrimidin-2-yl)amino]methyl]-5,5-difluoro-3-methylpiperidin-1-yl]-(5-chloro-2-pyrimidin-2-ylphenyl)methanone
CID 147249902

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone (CID 66848385) is [(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone.
What is the SMILES notation for [(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone is O=C(c1cc(F)ccc1-c1ncccn1)N1CCC2(CC2)C[C@@H]1CNc1ccc(Cl)cn1.
What is the InChIKey of [(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone?
The InChIKey is KYPBPBVTSKVRKH-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23ClFN5O/c25-16-2-5-21(29-14-16)30-15-18-13-24(6-7-24)8-11-31(18)23(32)20-12-17(26)3-4-19(20)22-27-9-1-10-28-22/h1-5,9-10,12,14,18H,6-8,11,13,15H2,(H,29,30)/t18-/m1/s1.
What are the key properties of [(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone?
[(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-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 [(7R)-7-[[(5-chloro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 66848385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).